data_2diq_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 2diq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' LEU . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.547 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.412 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 36' ' ' GLY . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 75' ' ' ASP . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 76' ' ' CYS . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' HB1' ' A' ' 95' ' ' ALA . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CB ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.415 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.437 ' CG ' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 88' ' ' PHE . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CB ' HD12 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.48 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 74.7 mm-40 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 3.9 p30 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.413 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.488 ' CH2' ' CG ' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.413 HD13 ' CB ' ' A' ' 75' ' ' ASP . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' CG ' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 ' CE1' ' A' ' 50' ' ' TYR . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 23' ' ' TYR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 16' ' ' VAL . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.414 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 58' ' ' LEU . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 ' CB ' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.466 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 39.9 mm-40 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 50' ' ' TYR . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' CG2' ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.52 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' HG12 ' A' ' 16' ' ' VAL . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.468 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.5 mm-40 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.745 0.307 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' GLN . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 25' ' ' ASN . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' SER . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.491 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 16' ' ' VAL . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.409 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 80' ' ' ASP . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.428 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.454 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.535 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 57' ' ' THR . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' C ' HD22 ' A' ' 78' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.487 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.487 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.4 mm-40 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 50' ' ' TYR . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.459 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.468 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.468 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 61.5 mm-40 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.705 0.288 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.421 ' CB ' HD22 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.462 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.485 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 46.7 mm-40 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.3 t-160 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.413 HG22 ' CG2' ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.402 ' CB ' HD22 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE1' HG12 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.411 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 88' ' ' PHE . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 84' ' ' LEU . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 50' ' ' TYR . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE1' HG13 ' A' ' 16' ' ' VAL . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 68' ' ' VAL . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.446 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 87.6 mm-40 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.454 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 95' ' ' ALA . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.448 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 50' ' ' TYR . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE1' HG12 ' A' ' 16' ' ' VAL . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 95' ' ' ALA . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.456 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.441 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 38.1 mm-40 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' C ' ' A' ' 69' ' ' ASP . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.6 m120 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG1' ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 57' ' ' THR . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.425 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 86.6 mm-40 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.739 0.304 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.472 ' CG2' ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.6 t-160 -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.545 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' HD23 ' A' ' 43' ' ' LEU . 10.2 t30 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.558 ' CD1' ' OE2' ' A' ' 24' ' ' GLU . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CE1' HG13 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.468 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.414 ' CD2' HD21 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 8.6 t30 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE2' HG13 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.409 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 54.5 mm-40 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' LEU . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 50' ' ' TYR . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.483 ' CG2' ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 4.9 t-80 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.483 ' CG ' ' CG2' ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.8 OUTLIER -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 37' ' ' ASP . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG22 ' A' ' 33' ' ' VAL . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' CD2' ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 16' ' ' VAL . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.412 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.403 ' C ' ' HB2' ' A' ' 95' ' ' ALA . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD2' ' CB ' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.425 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD2' HD22 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 52.9 mm-40 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' ' 50' ' ' TYR . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 7.0 p30 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.438 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 13.1 t30 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 16' ' ' VAL . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' HG21 ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.408 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 75' ' ' ASP . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 93' ' ' PHE . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.497 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 91' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.5 ' CD1' HG21 ' A' ' 68' ' ' VAL . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 51.5 mm-40 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.554 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 93' ' ' PHE . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HE3' ' A' ' 19' ' ' MET . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.441 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.425 ' CD1' HG22 ' A' ' 68' ' ' VAL . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.441 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 33.7 mm-40 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 15' ' ' LEU . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.573 ' CG1' ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 mm100 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 37' ' ' ASP . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE1' ' CG1' ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 93' ' ' PHE . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.449 ' CD1' HG22 ' A' ' 68' ' ' VAL . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.41 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 36.7 mm-40 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 t -76.55 132.27 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m 62.19 43.71 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.36 127.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -43.57 106.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -67.67 -54.22 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -150.45 14.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.454 ' HB2' ' CZ ' ' A' ' 8' ' ' ARG . 21.9 ttm105 -120.94 149.94 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -90.43 157.49 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.82 -52.34 38.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 15' ' ' LEU . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.406 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.547 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.547 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.569 ' CD1' HG21 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.412 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.463 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.408 ' O ' ' N ' ' A' ' 36' ' ' GLY . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.421 HD12 ' CB ' ' A' ' 75' ' ' ASP . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' ND2' ' HA ' ' A' ' 76' ' ' CYS . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.431 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.463 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.42 ' C ' ' HB1' ' A' ' 95' ' ' ALA . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' CB ' HD12 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.415 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.437 ' CG ' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 ' CB ' ' A' ' 88' ' ' PHE . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CB ' HD12 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.48 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 74.7 mm-40 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 68' ' ' VAL . . . -89.09 108.31 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.87 145.63 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.28 -176.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.2 160.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 m -49.07 172.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.6 173.74 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.73 40.97 25.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -103.03 -21.45 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -116.6 165.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.41 145.43 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 m -149.58 174.28 12.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.47 -179.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.31 25.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.7 m -58.21 132.59 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.4 p -61.68 152.63 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -127.93 135.83 50.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -108.23 109.51 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.9 128.87 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -66.43 -43.84 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -112.72 136.89 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.46 166.12 33.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -91.59 147.3 23.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -111.31 155.54 22.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.27 -52.31 66.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.552 HG12 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 3.9 p30 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' O ' ' CD1' ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.488 ' CH2' ' CG ' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.568 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.418 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.413 HD13 ' CB ' ' A' ' 75' ' ' ASP . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.418 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' CB ' HD13 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.47 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.413 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' CG ' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.74 105.93 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.454 HG21 ' N ' ' A' ' 97' ' ' GLU . 23.2 mm -93.21 140.2 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.454 ' N ' HG21 ' A' ' 96' ' ' ILE . 11.9 pt-20 -38.8 147.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.01 140.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' LEU . 13.6 m -137.33 177.38 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' SER . 51.2 mt -34.69 122.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.73 103.77 13.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -119.1 110.16 16.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.425 ' CD1' ' C ' ' A' ' 103' ' ' ILE . 2.4 pp -106.04 162.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.79 149.8 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -85.58 147.49 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.77 140.31 6.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 129.25 17.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -93.91 -57.11 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.5 p -159.85 108.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -124.39 -3.36 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -109.4 132.48 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -131.51 10.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -53.34 125.27 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -65.46 115.7 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.19 -128.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -127.11 100.8 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -70.21 151.96 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.83 -43.24 65.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.57 HG12 ' CE1' ' A' ' 50' ' ' TYR . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.454 ' C ' ' O ' ' A' ' 23' ' ' TYR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.414 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.421 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.57 ' CE1' HG12 ' A' ' 16' ' ' VAL . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.426 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.449 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.414 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.4 HG21 ' N ' ' A' ' 58' ' ' LEU . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.43 HD11 ' CB ' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.426 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.47 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.466 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 39.9 mm-40 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -101.21 113.1 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.474 ' O ' ' N ' ' A' ' 98' ' ' CYS . 13.9 mm -109.29 149.21 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' ILE . 15.2 pt-20 34.49 34.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' ILE . 10.3 t -89.29 38.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -100.62 152.77 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.68 111.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.9 133.36 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -117.0 111.76 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.43 ' CD1' ' C ' ' A' ' 103' ' ' ILE . 2.3 pp -85.11 168.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.43 137.33 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 67.8 m -70.38 157.26 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.464 ' N ' ' HD2' ' A' ' 107' ' ' PRO . . . 130.34 -60.02 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.464 ' HD2' ' N ' ' A' ' 106' ' ' GLY . 54.4 Cg_endo -69.7 2.43 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 53.9 p -34.64 -48.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -44.57 136.3 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.519 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -130.63 -54.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -66.76 112.67 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.53 5.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 m -47.89 -59.61 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.0 p 35.07 40.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -170.37 41.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -149.05 112.8 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -68.55 149.45 49.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -52.25 -51.99 55.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG12 ' CE2' ' A' ' 50' ' ' TYR . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG22 ' CG2' ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.423 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.505 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.52 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE2' HG12 ' A' ' 16' ' ' VAL . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.455 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' HG22 ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 97' ' ' GLU . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.468 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.5 mm-40 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.8 107.93 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 96' ' ' ILE . 2.7 mp -100.15 137.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.445 ' N ' HG23 ' A' ' 96' ' ' ILE . 21.6 tt0 -71.59 132.12 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 51.4 t -52.06 115.93 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.4 p -148.39 145.01 27.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 101' ' ' ALA . 21.3 tp -54.72 158.61 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.413 ' N ' ' HG ' ' A' ' 100' ' ' LEU . . . -53.2 175.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -104.45 142.83 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.15 119.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.27 171.06 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 111.03 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 151.15 35.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.21 2.76 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -118.06 154.23 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.2 m -75.12 -63.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -82.81 161.94 21.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -123.32 131.16 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.72 164.66 23.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -74.27 120.64 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -90.5 125.26 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.04 153.91 34.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 9' ' ' SER . 13.5 tpp180 -95.31 152.7 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.409 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 67.8 m -115.97 157.92 23.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -69.39 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.559 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.432 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 21' ' ' GLN . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' C ' ' A' ' 24' ' ' GLU . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.491 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.477 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.491 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.559 ' CE1' HG11 ' A' ' 16' ' ' VAL . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.427 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.427 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' C ' HD22 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.409 HD22 ' C ' ' A' ' 80' ' ' ASP . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.428 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.91 98.03 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -87.39 136.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.4 m -76.91 122.39 24.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -128.39 171.79 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.48 89.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -163.27 138.21 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -34.6 147.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -138.52 156.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.8 44.41 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 m -114.58 86.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.68 178.1 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.96 9.34 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.9 m -97.68 94.27 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.7 p -77.88 93.98 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.7 -46.21 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 67.82 44.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 -67.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -53.46 -55.74 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -78.61 -55.08 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.17 -137.66 7.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.4 mtp180 -51.31 136.03 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -60.93 140.03 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -46.77 -54.16 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.454 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.45 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.433 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.454 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.535 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 47' ' ' GLY . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.535 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.525 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 57' ' ' THR . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.525 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' O ' ' SG ' ' A' ' 76' ' ' CYS . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' C ' HD22 ' A' ' 78' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.432 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.454 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.501 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.487 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.487 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.4 mm-40 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.8 102.7 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.414 HG21 ' N ' ' A' ' 97' ' ' GLU . 3.3 mp -95.76 155.76 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.414 ' N ' HG21 ' A' ' 96' ' ' ILE . 6.6 pm0 -55.9 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.7 t 64.73 40.98 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' LEU . 57.8 m -105.39 167.29 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 99' ' ' SER . 8.5 mp -34.72 117.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.1 107.64 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.465 ' HG2' ' CD1' ' A' ' 103' ' ' ILE . 12.5 ttm180 -135.45 173.17 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.484 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 5.2 mp 35.17 54.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.83 134.57 34.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.8 p -85.13 174.4 9.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.88 145.64 16.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.4 m -108.24 164.3 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -128.28 151.12 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.499 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -81.41 125.07 29.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -152.37 142.06 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.02 -129.79 5.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -114.08 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -79.78 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.14 146.08 9.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -168.87 159.25 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 m -100.81 157.39 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.64 -48.76 71.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.497 HG11 ' CE1' ' A' ' 50' ' ' TYR . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.455 ' HB3' ' CD2' ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.533 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.497 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.492 ' HB1' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.421 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.492 ' CD1' ' HB1' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.459 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.455 ' CD2' ' HB3' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.479 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.479 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.468 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.468 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 61.5 mm-40 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -97.54 97.3 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mm -79.09 142.12 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.49 159.54 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.86 175.2 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -81.27 163.81 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -112.02 -59.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 136.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 4.5 tmm_? -117.58 150.55 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.0 pt -149.24 125.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.12 139.58 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 t -84.61 126.87 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.7 68.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.28 9.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.9 p -53.61 166.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -148.93 160.96 42.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -69.64 -56.16 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.86 -57.47 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.35 145.38 29.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -116.49 -51.26 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 55.19 45.05 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.62 -103.25 0.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -68.68 138.0 54.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -109.25 155.52 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.89 -49.92 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.563 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.419 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.481 HD12 ' CZ ' ' A' ' 67' ' ' PHE . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.421 ' CB ' HD22 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.56 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.563 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' CZ ' HD12 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.462 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.488 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.485 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 46.7 mm-40 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.52 112.27 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.7 mm -93.91 140.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.93 176.59 9.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.9 m -48.08 171.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 t -46.84 116.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.95 136.79 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.52 132.99 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -123.2 167.58 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.25 175.62 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.76 116.44 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 p -40.29 -41.45 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -158.09 169.84 34.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.36 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -100.6 157.32 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -121.37 -52.97 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -125.35 -58.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 m -87.31 139.79 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.22 -51.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -101.44 -60.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -77.33 131.52 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -86.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -143.19 126.18 16.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 m -87.46 129.66 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -45.34 -46.6 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG12 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.3 t-160 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 HG22 ' CG2' ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' HIS . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.482 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.502 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.402 ' CB ' HD22 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.482 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE1' HG12 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.433 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.411 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.438 HD12 ' CB ' ' A' ' 88' ' ' PHE . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.438 ' CB ' HD12 ' A' ' 84' ' ' LEU . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.481 ' CB ' ' O ' ' A' ' 68' ' ' VAL . . . -94.5 122.46 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.404 HG22 ' N ' ' A' ' 97' ' ' GLU . 42.8 mm -105.28 145.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 98' ' ' CYS . 3.0 pp20? -114.24 -43.35 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . 51.0 t -35.08 115.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.1 m -83.26 -175.72 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' C ' ' CD2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -87.27 29.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.42 170.6 16.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -75.39 -29.47 59.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.419 ' O ' ' CG2' ' A' ' 103' ' ' ILE . 35.3 mm 65.28 47.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.74 132.37 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -170.76 159.73 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.41 -168.78 29.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -117.63 -48.34 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -173.0 116.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -60.64 140.54 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -67.74 -52.26 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 -104.13 1.32 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -140.71 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -99.89 82.34 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.37 -110.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -99.71 99.23 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.97 157.96 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.97 -61.9 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' HB3' ' CD1' ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.528 HG13 ' CE1' ' A' ' 50' ' ' TYR . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.41 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.466 ' HB2' ' CD2' ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.548 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.548 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.528 ' CE1' HG13 ' A' ' 16' ' ' VAL . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.467 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.405 ' N ' ' O ' ' A' ' 53' ' ' ARG . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.501 ' O ' ' N ' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.407 ' N ' HG21 ' A' ' 68' ' ' VAL . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.446 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.446 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 87.6 mm-40 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -134.94 100.63 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.423 ' CD1' ' N ' ' A' ' 96' ' ' ILE . 3.1 mp -99.15 153.14 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -49.27 144.17 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 99' ' ' SER . 19.7 m -130.18 159.28 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 98' ' ' CYS . 4.4 m -35.56 138.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.4 tt -157.41 123.32 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.7 126.92 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -142.42 138.01 30.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 pp -143.34 174.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -174.98 176.89 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 p -98.35 175.05 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.95 -96.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m 41.1 40.47 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 t -81.43 113.28 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -76.0 131.59 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.44 -52.93 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.44 -77.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -153.42 156.88 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.355 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -116.3 95.84 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.74 -159.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -56.02 165.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -71.51 148.47 46.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' CB ' HD21 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.544 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.454 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.436 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.42 ' O ' ' N ' ' A' ' 95' ' ' ALA . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD21 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.513 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -96.25 107.71 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.426 HG23 ' N ' ' A' ' 97' ' ' GLU . 35.9 mm -83.76 136.23 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.426 ' N ' HG23 ' A' ' 96' ' ' ILE . 2.5 tm-20 -49.64 127.17 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.9 t -79.92 152.68 29.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -95.87 95.4 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -146.03 159.02 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.78 167.54 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.42 158.91 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.4 mm -53.39 123.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.06 167.02 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -126.84 166.29 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.91 83.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.8 p -126.27 161.75 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -96.34 159.34 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -75.88 -51.46 12.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -121.81 92.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 58.97 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -113.74 122.19 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -131.02 102.93 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 -61.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.405 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -122.97 150.71 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' LEU . 29.3 m -85.27 126.67 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -39.62 -54.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.448 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.448 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.555 HG12 ' CE1' ' A' ' 50' ' ' TYR . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.479 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.569 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.423 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.555 ' CE1' HG12 ' A' ' 16' ' ' VAL . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.545 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.406 ' C ' ' HB3' ' A' ' 95' ' ' ALA . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.456 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.456 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.508 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.435 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 38.1 mm-40 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HB3' ' C ' ' A' ' 69' ' ' ASP . . . -95.82 100.48 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.435 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 32.4 mm -92.38 143.22 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -69.77 172.76 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.8 m -43.82 160.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.8 p -64.32 168.74 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 tt 67.83 51.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.04 40.46 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -94.18 120.02 33.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.57 122.3 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.42 129.5 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -129.76 167.63 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.7 145.93 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -42.27 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.5 p 44.23 40.37 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -147.48 166.18 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 m -80.14 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -127.22 126.74 43.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.26 69.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -110.77 96.05 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -78.34 113.47 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.57 -178.33 48.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -157.63 -178.8 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -113.0 155.4 24.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.43 -52.02 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' CG1' ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.6 m120 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.558 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.437 ' CE1' ' CG1' ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' THR . . . . . 0.445 HG21 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.445 ' N ' HG21 ' A' ' 57' ' ' THR . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.421 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.463 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.558 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.425 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 86.6 mm-40 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -97.11 106.4 18.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mm -94.4 145.2 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -39.53 154.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 99' ' ' SER . 83.0 m -46.54 159.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' CYS . 39.8 t -34.85 128.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' ALA . 3.2 tp -166.3 162.93 17.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LEU . . . -35.46 126.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.435 ' N ' ' HD3' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -111.42 160.19 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.6 168.76 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.52 100.04 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 m -99.74 145.05 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.97 151.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.8 Cg_endo -69.81 1.08 4.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 107' ' ' PRO . 71.0 m -34.47 104.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.6 t -137.05 106.78 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.81 -53.27 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -131.37 115.87 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.59 94.13 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -141.38 142.41 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.365 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -124.64 159.48 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 147.04 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -147.55 131.93 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -75.18 151.17 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.32 -50.39 63.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.557 HG13 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.472 ' CG2' ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.6 t-160 -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.579 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.9 OUTLIER -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.47 ' HA ' ' CZ3' ' A' ' 49' ' ' TRP . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.545 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 47' ' ' GLY . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.411 ' CB ' HD23 ' A' ' 43' ' ' LEU . 10.2 t30 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.558 ' CD1' ' OE2' ' A' ' 24' ' ' GLU . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.557 ' CE1' HG13 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.47 ' HD2' ' CD2' ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.416 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.4 ' CZ ' HD11 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.43 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.468 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.47 ' CD2' ' HD2' ' A' ' 51' ' ' ARG . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.414 ' CD2' HD21 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 49.1 mm-40 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.23 113.22 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.01 140.03 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.472 ' N ' ' HH ' ' A' ' 66' ' ' TYR . 16.9 tt0 -61.9 161.55 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.6 t 68.74 40.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.7 m -71.77 169.73 15.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 tt -45.51 124.49 4.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.58 168.03 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -151.53 135.85 16.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 pp -135.58 162.15 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.02 144.78 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.1 m -110.5 153.11 25.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.89 -157.93 15.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.32 4.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 t -134.74 144.66 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -81.23 122.59 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 131.14 48.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p 38.72 41.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -153.43 23.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.83 128.38 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -115.46 137.78 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.01 -94.14 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -109.34 140.79 42.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -103.93 152.96 21.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.7 -49.05 78.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.554 HG13 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.407 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.559 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 8.6 t30 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.559 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' CE2' HG13 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.407 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.414 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.528 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 84' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.463 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.463 ' CD2' HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.59 108.25 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 mm -102.52 145.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' CYS . 5.1 tt0 -154.94 154.56 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLU . 26.3 p -35.5 133.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -164.29 128.13 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.0 mt -47.6 157.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 129.06 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -57.96 124.45 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.3 mm -106.77 95.08 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.97 141.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' GLY . 3.1 t -57.07 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 33.85 -96.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.552 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.8 132.2 22.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.8 p -125.14 -49.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 111.39 17.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -63.98 172.16 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.92 112.36 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.84 -171.42 44.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -169.69 154.65 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -161.0 114.71 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -160.82 136.58 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 m -111.6 155.94 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.58 -50.62 70.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.567 HG12 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.454 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.402 ' CG2' HG23 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.409 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.567 ' CE2' HG12 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.402 HG23 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.436 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.465 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.465 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 54.5 mm-40 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -97.06 123.1 40.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.9 mm -115.77 138.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -87.31 -178.26 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.43 146.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -80.5 144.33 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 100' ' ' LEU . 0.7 OUTLIER -93.34 107.23 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.33 91.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -166.33 140.23 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.2 mm -87.63 105.87 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 127.04 29.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -65.29 154.63 37.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.83 29.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 155.18 66.61 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 -47.12 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -91.29 176.63 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -98.62 -34.62 10.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -100.75 84.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.92 47.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -73.4 149.33 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -100.56 88.1 3.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.8 -93.9 2.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -48.86 128.12 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -107.58 157.76 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.02 -49.51 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 15' ' ' LEU . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.496 HG12 ' CE2' ' A' ' 50' ' ' TYR . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.483 ' CG2' ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 4.9 t-80 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.483 ' CG ' ' CG2' ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.627 ' N ' HD21 ' A' ' 25' ' ' ASN . 0.8 OUTLIER -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.405 HG22 ' CB ' ' A' ' 37' ' ' ASP . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG22 ' A' ' 33' ' ' VAL . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' CB ' ' CD2' ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.513 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.513 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.496 ' CE2' HG12 ' A' ' 16' ' ' VAL . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.493 ' HB3' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.412 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.44 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.493 ' CD1' ' HB3' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' C ' ' HB2' ' A' ' 95' ' ' ALA . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.438 ' CD2' ' CB ' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.421 HD22 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.425 ' O ' ' NH1' ' A' ' 51' ' ' ARG . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' CD2' HD22 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 52.9 mm-40 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 68' ' ' VAL . . . -94.49 122.77 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.05 144.43 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' CYS . 4.5 tt0 -38.49 153.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' GLU . 73.9 m -35.78 -46.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -39.35 128.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.13 137.29 10.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.48 122.39 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -48.05 130.93 15.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -91.04 156.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -107.03 148.2 29.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -120.22 -56.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.3 -157.88 14.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.44 63.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 p -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -52.06 -57.75 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -113.96 125.45 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 p -153.87 143.97 22.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 159.09 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -91.68 48.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -92.95 115.7 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.83 -98.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -116.9 144.93 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -108.4 151.02 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.13 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.566 HG13 ' CE2' ' A' ' 50' ' ' TYR . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.453 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 7.0 p30 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.408 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.465 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.543 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 47' ' ' GLY . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.438 ' ND2' ' OH ' ' A' ' 50' ' ' TYR . 13.1 t30 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.543 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.566 ' CE2' HG13 ' A' ' 16' ' ' VAL . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.412 ' CG2' HG21 ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.408 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.448 ' CD1' ' HB2' ' A' ' 75' ' ' ASP . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.454 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.5 HG21 ' CD1' ' A' ' 93' ' ' PHE . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.448 ' HB2' ' CD1' ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.465 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.497 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.497 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.414 ' C ' ' N ' ' A' ' 91' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.5 ' CD1' HG21 ' A' ' 68' ' ' VAL . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 51.5 mm-40 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.24 106.78 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.2 mm -98.31 146.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.75 178.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.2 p -91.32 142.74 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -166.6 178.95 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.02 176.3 5.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.66 104.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 103' ' ' ILE . 10.8 mmm180 -127.45 144.04 51.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . 0.509 ' O ' ' CD1' ' A' ' 103' ' ' ILE . 2.8 pp 29.44 40.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 102' ' ' ARG . . . -88.37 174.9 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.5 m -48.11 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.39 -83.73 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.4 m -50.87 109.28 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -156.45 169.35 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -80.93 118.32 22.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -106.99 -56.36 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.98 118.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -155.13 159.58 40.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -95.31 -52.29 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 156.24 53.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -121.2 151.87 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -86.98 142.21 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -47.3 76.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.427 HG23 ' CD1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.492 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.523 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' C ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.56 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.427 ' OG1' ' CD2' ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.569 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.554 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' C ' ' HB ' ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.554 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 93' ' ' PHE . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.412 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.412 ' CG ' ' HD2' ' A' ' 79' ' ' LYS . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.435 ' CD2' ' HB1' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.569 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.423 ' CD1' ' HE3' ' A' ' 19' ' ' MET . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.492 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.441 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.425 ' CD1' HG22 ' A' ' 68' ' ' VAL . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.441 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 33.7 mm-40 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.06 116.92 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.5 mm -103.64 137.4 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.68 150.62 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -79.71 159.12 26.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -79.33 168.16 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 tp -106.5 155.82 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -77.46 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -98.32 105.8 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 19.1 mt 58.08 53.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.5 112.76 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -138.0 137.33 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.51 143.88 16.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.3 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.0 t -35.44 -45.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -66.58 114.83 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -94.27 -45.85 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -73.32 110.85 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 72.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.0 p -110.65 42.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 85.6 p -38.4 -44.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.31 -161.65 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -57.99 145.1 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -91.56 151.71 20.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.92 -50.75 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 15' ' ' LEU . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.573 ' CG1' ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' MET . . . . . 0.405 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 mm100 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.548 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG23 ' CB ' ' A' ' 37' ' ' ASP . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' C ' ' O ' ' A' ' 34' ' ' HIS . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.457 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.45 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' CB ' HD23 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 47' ' ' GLY . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.3 t30 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.573 ' CE1' ' CG1' ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.417 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.45 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.504 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.449 HG22 ' CD1' ' A' ' 93' ' ' PHE . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.408 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.44 HD23 ' CB ' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.548 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.453 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.463 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.41 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 36.7 mm-40 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.8 103.9 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ILE . . . . . 0.463 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 44.7 mm -98.0 139.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.459 ' N ' HG21 ' A' ' 96' ' ' ILE . 13.0 pt-20 -89.33 167.98 12.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.0 p -77.13 112.23 13.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 p -170.18 174.86 5.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 86.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.6 147.82 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 pt -113.61 129.97 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.7 139.85 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -98.98 113.37 25.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.31 -176.13 18.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.59 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -142.03 168.22 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.8 t -118.52 128.58 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.836 ' HB3' HD11 ' A' ' 91' ' ' LEU . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 70' ' ' PHE . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' OE2' ' A' ' 29' ' ' GLU . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' OE2' HG23 ' A' ' 27' ' ' VAL . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.695 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 46' ' ' ASN . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.836 ' HB2' HD23 ' A' ' 43' ' ' LEU . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 33' ' ' VAL . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 62' ' ' ASN . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.729 ' HB2' HD12 ' A' ' 58' ' ' LEU . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.746 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 12' ' ' LEU . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD23 ' CD2' ' A' ' 89' ' ' LEU . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 84' ' ' LEU . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.775 ' HB3' HD11 ' A' ' 91' ' ' LEU . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' THR . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.54 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 p-10 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.563 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' O ' HD13 ' A' ' 38' ' ' ILE . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 37' ' ' ASP . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' SER . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 84' ' ' LEU . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 33' ' ' VAL . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 64' ' ' ASP . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 62' ' ' ASN . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.808 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.739 ' CG ' HD12 ' A' ' 55' ' ' LEU . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 51' ' ' ARG . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 84' ' ' LEU . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HB3' HD11 ' A' ' 91' ' ' LEU . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.593 HG22 ' OE1' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.593 ' OE1' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.764 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.592 HD13 ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 33' ' ' VAL . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.797 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.642 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.566 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.819 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.641 HD23 HD21 ' A' ' 89' ' ' LEU . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.641 HD21 HD23 ' A' ' 84' ' ' LEU . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.611 ' HB2' HD23 ' A' ' 43' ' ' LEU . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HD2' HD21 ' A' ' 84' ' ' LEU . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.66 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 58' ' ' LEU . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 62' ' ' ASN . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.477 ' C ' HD23 ' A' ' 81' ' ' LEU . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.745 0.307 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.701 ' HB3' HD11 ' A' ' 91' ' ' LEU . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' OE1' ' A' ' 24' ' ' GLU . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' C ' ' A' ' 24' ' ' GLU . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HZ ' ' A' ' 67' ' ' PHE . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 48' ' ' SER . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD21 ' A' ' 84' ' ' LEU . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' HA ' HG23 ' A' ' 35' ' ' VAL . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 61' ' ' GLY . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 62' ' ' ASN . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' THR . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.859 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.435 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 69' ' ' ASP . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.721 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.537 ' C ' HD23 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 88' ' ' PHE . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.642 ' HB3' HD11 ' A' ' 84' ' ' LEU . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 84' ' ' LEU . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB3' HD11 ' A' ' 91' ' ' LEU . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 54' ' ' VAL . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 46' ' ' ASN . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.714 ' HB2' HD23 ' A' ' 43' ' ' LEU . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 35' ' ' VAL . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HA ' HG23 ' A' ' 35' ' ' VAL . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.549 HG22 ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 62' ' ' ASN . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 57' ' ' THR . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.771 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.594 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' HD23 ' A' ' 81' ' ' LEU . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 88' ' ' PHE . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.64 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.566 ' CD2' HD23 ' A' ' 84' ' ' LEU . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 91' ' ' LEU . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.529 ' CG2' HG21 ' A' ' 54' ' ' VAL . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 46' ' ' ASN . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.704 ' CB ' HD23 ' A' ' 43' ' ' LEU . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' HD21 ' A' ' 84' ' ' LEU . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.556 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.606 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE1' HD21 ' A' ' 12' ' ' LEU . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.42 ' HB3' HD21 ' A' ' 81' ' ' LEU . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 89' ' ' LEU . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.666 ' CD2' HD23 ' A' ' 84' ' ' LEU . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.705 0.288 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.605 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 69' ' ' ASP . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' HB2' ' A' ' 46' ' ' ASN . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.618 ' HB2' HD23 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.692 ' HA ' HG23 ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 62' ' ' ASN . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.516 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 12' ' ' LEU . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 81' ' ' LEU . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.651 HD21 HD23 ' A' ' 84' ' ' LEU . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.0 t60 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.516 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 46' ' ' ASN . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.883 ' HB2' HD23 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.583 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.659 ' CD ' HD21 ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.788 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 12' ' ' LEU . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.559 ' C ' HD23 ' A' ' 81' ' ' LEU . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.728 ' CD2' HD23 ' A' ' 84' ' ' LEU . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HB3' HD11 ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 84' ' ' LEU . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 33' ' ' VAL . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 75' ' ' ASP . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.631 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.436 ' C ' HD23 ' A' ' 81' ' ' LEU . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 51' ' ' ARG . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' HD23 ' A' ' 84' ' ' LEU . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 50' ' ' TYR . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.758 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 33' ' ' VAL . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 35' ' ' VAL . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.814 HD12 ' HB2' ' A' ' 62' ' ' ASN . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.526 HD22 ' CG ' ' A' ' 62' ' ' ASN . 2.1 p-10 -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.814 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.758 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 84' ' ' LEU . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.774 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 46' ' ' ASN . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' HB3' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 58' ' ' LEU . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 93' ' ' PHE . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.774 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 88' ' ' PHE . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 84' ' ' LEU . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 84' ' ' LEU . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 68' ' ' VAL . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HB3' HD11 ' A' ' 91' ' ' LEU . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 66.0 m-80 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 54' ' ' VAL . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.512 ' CE1' HG11 ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.707 ' HD2' HD21 ' A' ' 84' ' ' LEU . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 35' ' ' VAL . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.767 ' HA ' HG23 ' A' ' 35' ' ' VAL . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 62' ' ' ASN . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.683 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' HD23 ' A' ' 81' ' ' LEU . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.849 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD2' HD23 ' A' ' 84' ' ' LEU . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.404 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.739 0.304 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HB3' HD11 ' A' ' 91' ' ' LEU . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.751 HG11 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.557 HG23 ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.441 ' NE2' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' GLU . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CH2' ' HD3' ' A' ' 42' ' ' PRO . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.751 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.734 ' CD ' HD21 ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 33' ' ' VAL . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 61' ' ' GLY . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 62' ' ' ASN . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' THR . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.851 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.809 HD23 ' CD2' ' A' ' 89' ' ' LEU . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.809 ' CD2' HD23 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.447 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.711 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 54' ' ' VAL . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' CB ' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.831 HD23 ' HB2' ' A' ' 46' ' ' ASN . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.831 ' HB2' HD23 ' A' ' 43' ' ' LEU . 3.6 t-20 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD2' HD21 ' A' ' 84' ' ' LEU . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 33' ' ' VAL . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.626 ' HA ' HG23 ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.75 ' HB2' HD12 ' A' ' 58' ' ' LEU . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.605 ' OD2' HD12 ' A' ' 55' ' ' LEU . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' C ' HD23 ' A' ' 81' ' ' LEU . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.676 HD23 HD21 ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD21 HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.42 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.642 ' HB2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.698 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG21 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 75' ' ' ASP . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.552 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.695 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.698 HD21 ' HD2' ' A' ' 51' ' ' ARG . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.693 ' CD2' HD23 ' A' ' 84' ' ' LEU . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 92' ' ' PRO . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' A' ' 70' ' ' PHE . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 20' ' ' THR . 6.5 t60 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' SER . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' CG ' HG23 ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.5 m120 -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 43' ' ' LEU . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.722 ' HA ' HG23 ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 58' ' ' LEU . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.943 HD12 ' HB2' ' A' ' 62' ' ' ASN . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.943 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.756 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CE1' HD21 ' A' ' 12' ' ' LEU . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 70' ' ' PHE . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HH ' ' HD2' ' A' ' 88' ' ' PHE . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.3 p-10 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 54' ' ' VAL . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.709 ' HB2' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.654 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 58' ' ' LEU . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 62' ' ' ASN . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.87 ' HB2' HD12 ' A' ' 58' ' ' LEU . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CE2' HG12 ' A' ' 68' ' ' VAL . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.474 HG12 ' CE2' ' A' ' 66' ' ' TYR . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 12' ' ' LEU . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 31' ' ' LEU . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.751 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.67 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 54' ' ' VAL . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.816 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.483 ' OG1' HD23 ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 33' ' ' VAL . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.631 ' HA ' HG23 ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 62' ' ' ASN . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.626 ' HB2' HD12 ' A' ' 58' ' ' LEU . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.503 ' O ' HD23 ' A' ' 81' ' ' LEU . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.433 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 91' ' ' LEU . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 70' ' ' PHE . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 1.6 mm-40 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.772 ' HB2' HD23 ' A' ' 43' ' ' LEU . 3.0 t-20 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.88 ' CE1' HG11 ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' HD21 ' A' ' 84' ' ' LEU . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.699 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 62' ' ' ASN . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.924 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' A' ' 12' ' ' LEU . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 81' ' ' LEU . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.712 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 t -76.55 132.27 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m 62.19 43.71 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.36 127.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -43.57 106.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -67.67 -54.22 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -150.45 14.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' CZ ' ' HB2' ' A' ' 8' ' ' ARG . 21.9 ttm105 -120.94 149.94 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -90.43 157.49 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.82 -52.34 38.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.836 ' HB3' HD11 ' A' ' 91' ' ' LEU . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 70' ' ' PHE . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' OE2' ' A' ' 29' ' ' GLU . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' OE2' HG23 ' A' ' 27' ' ' VAL . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.695 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.582 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 4.5 m-70 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 46' ' ' ASN . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.836 ' HB2' HD23 ' A' ' 43' ' ' LEU . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 33' ' ' VAL . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 62' ' ' ASN . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.729 ' HB2' HD12 ' A' ' 58' ' ' LEU . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.746 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 12' ' ' LEU . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD23 ' CD2' ' A' ' 89' ' ' LEU . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 84' ' ' LEU . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -89.09 108.31 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.87 145.63 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.28 -176.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.2 160.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 m -49.07 172.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.6 173.74 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.73 40.97 25.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -103.03 -21.45 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.814 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.6 165.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.41 145.43 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 m -149.58 174.28 12.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.47 -179.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.31 25.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.7 m -58.21 132.59 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.4 p -61.68 152.63 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -127.93 135.83 50.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -108.23 109.51 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.9 128.87 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -66.43 -43.84 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -112.72 136.89 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.46 166.12 33.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -91.59 147.3 23.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -111.31 155.54 22.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.27 -52.31 66.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.775 ' HB3' HD11 ' A' ' 91' ' ' LEU . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.43 ' C ' ' O ' ' A' ' 20' ' ' THR . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.54 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 p-10 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' O ' HD13 ' A' ' 38' ' ' ILE . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 37' ' ' ASP . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' SER . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 84' ' ' LEU . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' C ' ' HD2' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 33' ' ' VAL . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 64' ' ' ASP . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 62' ' ' ASN . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.808 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.739 ' CG ' HD12 ' A' ' 55' ' ' LEU . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 51' ' ' ARG . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 84' ' ' LEU . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 mm100 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.74 105.93 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.2 mm -93.21 140.2 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -38.8 147.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.01 140.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' LEU . 13.6 m -137.33 177.38 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' SER . 51.2 mt -34.69 122.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.73 103.77 13.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -119.1 110.16 16.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.664 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.4 pp -106.04 162.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.79 149.8 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -85.58 147.49 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.77 140.31 6.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 129.25 17.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -93.91 -57.11 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.5 p -159.85 108.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -124.39 -3.36 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -109.4 132.48 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -131.51 10.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -53.34 125.27 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -65.46 115.7 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.19 -128.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -127.11 100.8 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -70.21 151.96 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.83 -43.24 65.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HB3' HD11 ' A' ' 91' ' ' LEU . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.593 HG22 ' OE1' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 5.3 mm100 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.593 ' OE1' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.764 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.592 HD13 ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 33' ' ' VAL . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.797 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.642 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.566 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.819 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.641 HD23 HD21 ' A' ' 89' ' ' LEU . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.641 HD21 HD23 ' A' ' 84' ' ' LEU . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.729 ' O ' HD11 ' A' ' 96' ' ' ILE . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -101.21 113.1 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.729 HD11 ' O ' ' A' ' 93' ' ' PHE . 13.9 mm -109.29 149.21 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' ILE . 15.2 pt-20 34.49 34.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' ILE . 10.3 t -89.29 38.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -100.62 152.77 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.68 111.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.9 133.36 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -117.0 111.76 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.675 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.3 pp -85.11 168.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.43 137.33 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 67.8 m -70.38 157.26 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 107' ' ' PRO . . . 130.34 -60.02 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 106' ' ' GLY . 54.4 Cg_endo -69.7 2.43 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 53.9 p -34.64 -48.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -44.57 136.3 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.519 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -130.63 -54.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -66.76 112.67 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.53 5.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 m -47.89 -59.61 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.0 p 35.07 40.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -170.37 41.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -149.05 112.8 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -68.55 149.45 49.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -52.25 -51.99 55.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.611 ' HB2' HD23 ' A' ' 43' ' ' LEU . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HD2' HD21 ' A' ' 84' ' ' LEU . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.66 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 58' ' ' LEU . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 62' ' ' ASN . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 97' ' ' GLU . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.477 ' C ' HD23 ' A' ' 81' ' ' LEU . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.732 ' O ' HD11 ' A' ' 96' ' ' ILE . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.8 107.93 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.732 HD11 ' O ' ' A' ' 93' ' ' PHE . 2.7 mp -100.15 137.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' N ' ' OH ' ' A' ' 66' ' ' TYR . 21.6 tt0 -71.59 132.12 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 51.4 t -52.06 115.93 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.4 p -148.39 145.01 27.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 101' ' ' ALA . 21.3 tp -54.72 158.61 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 100' ' ' LEU . . . -53.2 175.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -104.45 142.83 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.15 119.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.27 171.06 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 111.03 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 151.15 35.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.21 2.76 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -118.06 154.23 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.2 m -75.12 -63.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -82.81 161.94 21.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -123.32 131.16 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.72 164.66 23.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -74.27 120.64 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -90.5 125.26 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.04 153.91 34.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' SER . 13.5 tpp180 -95.31 152.7 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 67.8 m -115.97 157.92 23.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -69.39 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.701 ' HB3' HD11 ' A' ' 91' ' ' LEU . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' OE1' ' A' ' 24' ' ' GLU . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' C ' ' A' ' 24' ' ' GLU . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HZ ' ' A' ' 67' ' ' PHE . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 48' ' ' SER . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD21 ' A' ' 84' ' ' LEU . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' HA ' HG23 ' A' ' 35' ' ' VAL . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 61' ' ' GLY . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 62' ' ' ASN . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' THR . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.859 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.435 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 69' ' ' ASP . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.721 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' C ' ' HD2' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' C ' HD23 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 88' ' ' PHE . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' HB3' HD11 ' A' ' 84' ' ' LEU . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 84' ' ' LEU . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 68' ' ' VAL . . . -94.91 98.03 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -87.39 136.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.4 m -76.91 122.39 24.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -128.39 171.79 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.48 89.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -163.27 138.21 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -34.6 147.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.514 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.52 156.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.8 44.41 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 m -114.58 86.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.68 178.1 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.96 9.34 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.9 m -97.68 94.27 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.7 p -77.88 93.98 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.7 -46.21 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 67.82 44.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 -67.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -53.46 -55.74 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -78.61 -55.08 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.17 -137.66 7.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.722 ' NH2' HG11 ' A' ' 16' ' ' VAL . 21.4 mtp180 -51.31 136.03 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -60.93 140.03 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -46.77 -54.16 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB3' HD11 ' A' ' 91' ' ' LEU . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' NH2' ' A' ' 8' ' ' ARG . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 54' ' ' VAL . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 46' ' ' ASN . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.714 ' HB2' HD23 ' A' ' 43' ' ' LEU . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 35' ' ' VAL . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HA ' HG23 ' A' ' 35' ' ' VAL . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.549 HG22 ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 62' ' ' ASN . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 57' ' ' THR . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.771 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' C ' ' OD1' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.594 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' HD23 ' A' ' 81' ' ' LEU . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 88' ' ' PHE . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.64 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.566 ' CD2' HD23 ' A' ' 84' ' ' LEU . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' O ' HD11 ' A' ' 96' ' ' ILE . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.8 102.7 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -95.76 155.76 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 96' ' ' ILE . 6.6 pm0 -55.9 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.7 t 64.73 40.98 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' LEU . 57.8 m -105.39 167.29 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 100' ' ' LEU . 8.5 mp -34.72 117.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.1 107.64 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.818 ' HG2' HD12 ' A' ' 103' ' ' ILE . 12.5 ttm180 -135.45 173.17 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.818 HD12 ' HG2' ' A' ' 102' ' ' ARG . 5.2 mp 35.17 54.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.83 134.57 34.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.8 p -85.13 174.4 9.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.88 145.64 16.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.4 m -108.24 164.3 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -128.28 151.12 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.499 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -81.41 125.07 29.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -152.37 142.06 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.02 -129.79 5.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -114.08 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -79.78 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.14 146.08 9.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -168.87 159.25 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 m -100.81 157.39 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.64 -48.76 71.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 91' ' ' LEU . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.529 ' CG2' HG21 ' A' ' 54' ' ' VAL . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 46' ' ' ASN . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.704 ' CB ' HD23 ' A' ' 43' ' ' LEU . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' HD21 ' A' ' 84' ' ' LEU . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.556 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.606 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE1' HD21 ' A' ' 12' ' ' LEU . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.42 ' HB3' HD21 ' A' ' 81' ' ' LEU . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 89' ' ' LEU . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.666 ' CD2' HD23 ' A' ' 84' ' ' LEU . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.441 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.54 97.3 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mm -79.09 142.12 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.49 159.54 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.86 175.2 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -81.27 163.81 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -112.02 -59.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 136.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' C ' ' HD2' ' A' ' 102' ' ' ARG . 4.5 tmm_? -117.58 150.55 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.0 pt -149.24 125.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.12 139.58 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 t -84.61 126.87 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.7 68.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.28 9.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.9 p -53.61 166.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -148.93 160.96 42.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -69.64 -56.16 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.86 -57.47 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.35 145.38 29.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -116.49 -51.26 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 55.19 45.05 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.62 -103.25 0.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -68.68 138.0 54.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -109.25 155.52 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.89 -49.92 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.605 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 69' ' ' ASP . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' HB2' ' A' ' 46' ' ' ASN . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.618 ' HB2' HD23 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.692 ' HA ' HG23 ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 62' ' ' ASN . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.516 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 12' ' ' LEU . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 81' ' ' LEU . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.651 HD21 HD23 ' A' ' 84' ' ' LEU . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.52 112.27 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.7 mm -93.91 140.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.93 176.59 9.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.9 m -48.08 171.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 t -46.84 116.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.95 136.79 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.52 132.99 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -123.2 167.58 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.25 175.62 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.76 116.44 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 p -40.29 -41.45 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -158.09 169.84 34.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.36 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -100.6 157.32 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -121.37 -52.97 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -125.35 -58.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 m -87.31 139.79 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.22 -51.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -101.44 -60.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -77.33 131.52 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -86.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -143.19 126.18 16.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 m -87.46 129.66 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -45.34 -46.6 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 2.0 t60 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.516 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 46' ' ' ASN . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.883 ' HB2' HD23 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.583 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.659 ' CD ' HD21 ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.788 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 12' ' ' LEU . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.559 ' C ' HD23 ' A' ' 81' ' ' LEU . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.728 ' CD2' HD23 ' A' ' 84' ' ' LEU . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 mm100 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.5 122.46 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.28 145.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 98' ' ' CYS . 3.0 pp20? -114.24 -43.35 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . 51.0 t -35.08 115.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.1 m -83.26 -175.72 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.736 HD13 ' H ' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -87.27 29.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.42 170.6 16.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -75.39 -29.47 59.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 103' ' ' ILE . 35.3 mm 65.28 47.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.74 132.37 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -170.76 159.73 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.41 -168.78 29.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -117.63 -48.34 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -173.0 116.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -60.64 140.54 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -67.74 -52.26 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 -104.13 1.32 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -140.71 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -99.89 82.34 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.37 -110.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -99.71 99.23 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.97 157.96 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.97 -61.9 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HB3' HD11 ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 84' ' ' LEU . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 33' ' ' VAL . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 75' ' ' ASP . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.631 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' C ' HD23 ' A' ' 81' ' ' LEU . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 51' ' ' ARG . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' HD23 ' A' ' 84' ' ' LEU . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.646 ' O ' HD11 ' A' ' 96' ' ' ILE . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm100 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -134.94 100.63 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -99.15 153.14 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 11.3 mt-10 -49.27 144.17 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 99' ' ' SER . 19.7 m -130.18 159.28 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 98' ' ' CYS . 4.4 m -35.56 138.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 101' ' ' ALA . 9.4 tt -157.41 123.32 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' O ' HD23 ' A' ' 100' ' ' LEU . . . -51.7 126.92 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -142.42 138.01 30.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.615 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.6 pp -143.34 174.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -174.98 176.89 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 p -98.35 175.05 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.95 -96.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m 41.1 40.47 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 t -81.43 113.28 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -76.0 131.59 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.44 -52.93 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.44 -77.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -153.42 156.88 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.355 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -116.3 95.84 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.74 -159.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -56.02 165.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -71.51 148.47 46.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 50' ' ' TYR . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.758 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 33' ' ' VAL . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 35' ' ' VAL . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.814 HD12 ' HB2' ' A' ' 62' ' ' ASN . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.526 HD22 ' CG ' ' A' ' 62' ' ' ASN . 2.1 p-10 -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.814 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.758 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 84' ' ' LEU . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.6 mm100 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -96.25 107.71 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.9 mm -83.76 136.23 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -49.64 127.17 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.9 t -79.92 152.68 29.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -95.87 95.4 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -146.03 159.02 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.78 167.54 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.42 158.91 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.4 mm -53.39 123.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.06 167.02 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -126.84 166.29 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.91 83.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.8 p -126.27 161.75 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -96.34 159.34 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -75.88 -51.46 12.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -121.81 92.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 58.97 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -113.74 122.19 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -131.02 102.93 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 -61.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' HA ' ' NE ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -122.97 150.71 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' LEU . 29.3 m -85.27 126.67 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -39.62 -54.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.774 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 46' ' ' ASN . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' HB3' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 58' ' ' LEU . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 93' ' ' PHE . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.3 m-80 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.774 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 88' ' ' PHE . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 84' ' ' LEU . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 84' ' ' LEU . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 68' ' ' VAL . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.82 100.48 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 32.4 mm -92.38 143.22 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -69.77 172.76 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.8 m -43.82 160.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.8 p -64.32 168.74 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 100' ' ' LEU . 1.3 tt 67.83 51.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.04 40.46 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -94.18 120.02 33.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.57 122.3 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.42 129.5 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -129.76 167.63 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.7 145.93 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -42.27 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.5 p 44.23 40.37 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -147.48 166.18 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 m -80.14 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -127.22 126.74 43.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.26 69.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -110.77 96.05 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -78.34 113.47 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.57 -178.33 48.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -157.63 -178.8 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -113.0 155.4 24.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.43 -52.02 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HB3' HD11 ' A' ' 91' ' ' LEU . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 66.0 m-80 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 54' ' ' VAL . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.512 ' CE1' HG11 ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.707 ' HD2' HD21 ' A' ' 84' ' ' LEU . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 35' ' ' VAL . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.767 ' HA ' HG23 ' A' ' 35' ' ' VAL . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 62' ' ' ASN . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.683 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' HD23 ' A' ' 81' ' ' LEU . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.849 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD2' HD23 ' A' ' 84' ' ' LEU . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.11 106.4 18.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mm -94.4 145.2 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -39.53 154.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 99' ' ' SER . 83.0 m -46.54 159.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' CYS . 39.8 t -34.85 128.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' ALA . 3.2 tp -166.3 162.93 17.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LEU . . . -35.46 126.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -111.42 160.19 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.6 168.76 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.52 100.04 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 m -99.74 145.05 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.97 151.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.8 Cg_endo -69.81 1.08 4.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 107' ' ' PRO . 71.0 m -34.47 104.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.6 t -137.05 106.78 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.81 -53.27 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -131.37 115.87 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.59 94.13 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -141.38 142.41 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.365 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -124.64 159.48 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 147.04 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -147.55 131.93 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -75.18 151.17 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.32 -50.39 63.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HB3' HD11 ' A' ' 91' ' ' LEU . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.751 HG11 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.557 HG23 ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.441 ' NE2' ' CE1' ' A' ' 23' ' ' TYR . 0.1 OUTLIER -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.455 ' O ' ' C ' ' A' ' 24' ' ' GLU . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CH2' ' HD3' ' A' ' 42' ' ' PRO . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.751 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.734 ' CD ' HD21 ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 33' ' ' VAL . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 61' ' ' GLY . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 62' ' ' ASN . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' THR . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.851 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.809 HD23 ' CD2' ' A' ' 89' ' ' LEU . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.809 ' CD2' HD23 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.447 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.23 113.22 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.01 140.03 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -61.9 161.55 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.6 t 68.74 40.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.7 m -71.77 169.73 15.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 tt -45.51 124.49 4.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.58 168.03 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -151.53 135.85 16.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.6 pp -135.58 162.15 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.02 144.78 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.1 m -110.5 153.11 25.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.89 -157.93 15.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.32 4.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 t -134.74 144.66 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -81.23 122.59 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 131.14 48.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p 38.72 41.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -153.43 23.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.83 128.38 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -115.46 137.78 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.01 -94.14 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -109.34 140.79 42.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -103.93 152.96 21.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.7 -49.05 78.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.711 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 54' ' ' VAL . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' CB ' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD23 ' HB2' ' A' ' 46' ' ' ASN . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.831 ' HB2' HD23 ' A' ' 43' ' ' LEU . 3.6 t-20 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD2' HD21 ' A' ' 84' ' ' LEU . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 33' ' ' VAL . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.626 ' HA ' HG23 ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.75 ' HB2' HD12 ' A' ' 58' ' ' LEU . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.605 ' OD2' HD12 ' A' ' 55' ' ' LEU . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' C ' HD23 ' A' ' 81' ' ' LEU . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.676 HD23 HD21 ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD21 HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.42 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.59 108.25 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 mm -102.52 145.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' CYS . 5.1 tt0 -154.94 154.56 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLU . 26.3 p -35.5 133.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -164.29 128.13 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.0 mt -47.6 157.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 129.06 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -57.96 124.45 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.3 mm -106.77 95.08 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.97 141.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' GLY . 3.1 t -57.07 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 33.85 -96.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.552 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.8 132.2 22.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.8 p -125.14 -49.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 111.39 17.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -63.98 172.16 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.92 112.36 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.84 -171.42 44.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -169.69 154.65 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -161.0 114.71 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -160.82 136.58 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 m -111.6 155.94 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.58 -50.62 70.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.642 ' HB2' HD23 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.698 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG21 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 75' ' ' ASP . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.552 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.695 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.698 HD21 ' HD2' ' A' ' 51' ' ' ARG . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.693 ' CD2' HD23 ' A' ' 84' ' ' LEU . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.451 HD23 ' O ' ' A' ' 92' ' ' PRO . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.06 123.1 40.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.9 mm -115.77 138.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -87.31 -178.26 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.43 146.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -80.5 144.33 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -93.34 107.23 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.33 91.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.545 ' HG2' HD12 ' A' ' 100' ' ' LEU . 8.5 ptm180 -166.33 140.23 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.2 mm -87.63 105.87 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 127.04 29.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -65.29 154.63 37.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.83 29.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 155.18 66.61 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 -47.12 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -91.29 176.63 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -98.62 -34.62 10.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -100.75 84.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.92 47.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -73.4 149.33 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -100.56 88.1 3.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.8 -93.9 2.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -48.86 128.12 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -107.58 157.76 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.02 -49.51 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' A' ' 70' ' ' PHE . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.409 ' N ' ' C ' ' A' ' 20' ' ' THR . 6.5 t60 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 26' ' ' SER . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' CG ' HG23 ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.5 m120 -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 43' ' ' LEU . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.722 ' HA ' HG23 ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 58' ' ' LEU . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.943 HD12 ' HB2' ' A' ' 62' ' ' ASN . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.943 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.756 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CE1' HD21 ' A' ' 12' ' ' LEU . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.7 mm100 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.49 122.77 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.05 144.43 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' CYS . 4.5 tt0 -38.49 153.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' GLU . 73.9 m -35.78 -46.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -39.35 128.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.13 137.29 10.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.48 122.39 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -48.05 130.93 15.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.526 ' H ' HD13 ' A' ' 103' ' ' ILE . 0.2 OUTLIER -91.04 156.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -107.03 148.2 29.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -120.22 -56.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.3 -157.88 14.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.44 63.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 p -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -52.06 -57.75 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -113.96 125.45 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 p -153.87 143.97 22.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 159.09 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -91.68 48.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -92.95 115.7 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.83 -98.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -116.9 144.93 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -108.4 151.02 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.13 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 70' ' ' PHE . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HH ' ' HD2' ' A' ' 88' ' ' PHE . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.543 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.3 p-10 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 54' ' ' VAL . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.1 m80 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.709 ' HB2' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.654 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 58' ' ' LEU . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 62' ' ' ASN . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.87 ' HB2' HD12 ' A' ' 58' ' ' LEU . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CE2' HG12 ' A' ' 68' ' ' VAL . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.474 HG12 ' CE2' ' A' ' 66' ' ' TYR . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 12' ' ' LEU . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 31' ' ' LEU . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.751 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' N ' ' C ' ' A' ' 89' ' ' LEU . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -91.24 106.78 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.2 mm -98.31 146.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.75 178.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.2 p -91.32 142.74 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -166.6 178.95 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.627 HD23 ' H ' ' A' ' 100' ' ' LEU . 0.5 OUTLIER -110.02 176.3 5.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.66 104.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 103' ' ' ILE . 10.8 mmm180 -127.45 144.04 51.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.8 pp 29.44 40.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 102' ' ' ARG . . . -88.37 174.9 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.5 m -48.11 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.39 -83.73 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.4 m -50.87 109.28 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -156.45 169.35 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -80.93 118.32 22.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -106.99 -56.36 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.98 118.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -155.13 159.58 40.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -95.31 -52.29 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 156.24 53.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -121.2 151.87 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -86.98 142.21 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -47.3 76.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 54' ' ' VAL . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.816 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.483 ' OG1' HD23 ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 33' ' ' VAL . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.631 ' HA ' HG23 ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 62' ' ' ASN . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' HB2' HD12 ' A' ' 58' ' ' LEU . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.503 ' O ' HD23 ' A' ' 81' ' ' LEU . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.433 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.06 116.92 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.5 mm -103.64 137.4 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.68 150.62 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -79.71 159.12 26.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -79.33 168.16 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 tp -106.5 155.82 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 104' ' ' ALA . . . -77.46 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -98.32 105.8 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 103' ' ' ILE . 19.1 mt 58.08 53.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . . . -85.5 112.76 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -138.0 137.33 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.51 143.88 16.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.3 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.0 t -35.44 -45.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -66.58 114.83 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -94.27 -45.85 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -73.32 110.85 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 72.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.0 p -110.65 42.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 85.6 p -38.4 -44.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.31 -161.65 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -57.99 145.1 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -91.56 151.71 20.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.92 -50.75 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 91' ' ' LEU . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 70' ' ' PHE . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 1.6 mm-40 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.772 ' HB2' HD23 ' A' ' 43' ' ' LEU . 3.0 t-20 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.88 ' CE1' HG11 ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' HD21 ' A' ' 84' ' ' LEU . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.699 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 62' ' ' ASN . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.924 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' A' ' 12' ' ' LEU . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 81' ' ' LEU . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.712 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -98.8 103.9 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 44.7 mm -98.0 139.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -89.33 167.98 12.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.0 p -77.13 112.23 13.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 p -170.18 174.86 5.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 86.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.6 147.82 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 pt -113.61 129.97 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.7 139.85 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -98.98 113.37 25.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.31 -176.13 18.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.59 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -142.03 168.22 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.8 t -118.52 128.58 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.817 0.341 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.836 ' HB3' HD11 ' A' ' 91' ' ' LEU . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 70' ' ' PHE . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' OE2' ' A' ' 29' ' ' GLU . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.423 ' OE2' HG23 ' A' ' 27' ' ' VAL . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.695 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 46' ' ' ASN . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.836 ' HB2' HD23 ' A' ' 43' ' ' LEU . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 33' ' ' VAL . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 62' ' ' ASN . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.729 ' HB2' HD12 ' A' ' 58' ' ' LEU . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.746 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 12' ' ' LEU . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.627 HD23 ' CD2' ' A' ' 89' ' ' LEU . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 84' ' ' LEU . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.48 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 74.7 mm-40 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.761 0.315 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.775 ' HB3' HD11 ' A' ' 91' ' ' LEU . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 3.9 p30 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.563 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' O ' HD13 ' A' ' 38' ' ' ILE . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 37' ' ' ASP . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' SER . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 84' ' ' LEU . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 33' ' ' VAL . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 64' ' ' ASP . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 62' ' ' ASN . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.808 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.739 ' CG ' HD12 ' A' ' 55' ' ' LEU . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 51' ' ' ARG . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 84' ' ' LEU . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.764 0.316 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HB3' HD11 ' A' ' 91' ' ' LEU . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.593 HG22 ' OE1' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.593 ' OE1' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.764 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.592 HD13 ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 33' ' ' VAL . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.797 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.642 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.566 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.819 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.641 HD23 HD21 ' A' ' 89' ' ' LEU . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.641 HD21 HD23 ' A' ' 84' ' ' LEU . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.466 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 39.9 mm-40 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.782 0.325 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.611 ' HB2' HD23 ' A' ' 43' ' ' LEU . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HD2' HD21 ' A' ' 84' ' ' LEU . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.66 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 58' ' ' LEU . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 62' ' ' ASN . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.4 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.477 ' C ' HD23 ' A' ' 81' ' ' LEU . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.491 ' NE2' HD21 ' A' ' 91' ' ' LEU . 73.5 mm-40 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.745 0.307 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.701 ' HB3' HD11 ' A' ' 91' ' ' LEU . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' OE1' ' A' ' 24' ' ' GLU . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' C ' ' A' ' 24' ' ' GLU . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HZ ' ' A' ' 67' ' ' PHE . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 48' ' ' SER . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD21 ' A' ' 84' ' ' LEU . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.747 ' HA ' HG23 ' A' ' 35' ' ' VAL . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 61' ' ' GLY . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 62' ' ' ASN . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' THR . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.859 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.435 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 69' ' ' ASP . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.721 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.537 ' C ' HD23 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 88' ' ' PHE . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.642 ' HB3' HD11 ' A' ' 84' ' ' LEU . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 84' ' ' LEU . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.401 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.756 0.312 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB3' HD11 ' A' ' 91' ' ' LEU . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 54' ' ' VAL . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 46' ' ' ASN . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.714 ' HB2' HD23 ' A' ' 43' ' ' LEU . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 35' ' ' VAL . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HA ' HG23 ' A' ' 35' ' ' VAL . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.549 HG22 ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 62' ' ' ASN . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 57' ' ' THR . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.771 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.594 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' HD23 ' A' ' 81' ' ' LEU . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.693 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 88' ' ' PHE . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.64 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.566 ' CD2' HD23 ' A' ' 84' ' ' LEU . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.487 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.4 mm-40 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.772 0.32 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 91' ' ' LEU . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.529 ' CG2' HG21 ' A' ' 54' ' ' VAL . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 46' ' ' ASN . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.704 ' CB ' HD23 ' A' ' 43' ' ' LEU . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' HD21 ' A' ' 84' ' ' LEU . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.556 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.606 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE1' HD21 ' A' ' 12' ' ' LEU . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.42 ' HB3' HD21 ' A' ' 81' ' ' LEU . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 89' ' ' LEU . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.666 ' CD2' HD23 ' A' ' 84' ' ' LEU . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.469 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.469 ' NE2' HD21 ' A' ' 91' ' ' LEU . 61.5 mm-40 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.705 0.288 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.605 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 69' ' ' ASP . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.692 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' HB2' ' A' ' 46' ' ' ASN . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.618 ' HB2' HD23 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.692 ' HA ' HG23 ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 62' ' ' ASN . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.516 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 12' ' ' LEU . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 81' ' ' LEU . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.651 HD21 HD23 ' A' ' 84' ' ' LEU . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.485 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 46.7 mm-40 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.816 0.341 . . . . 0.0 110.916 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.3 t-160 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.516 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 46' ' ' ASN . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.883 ' HB2' HD23 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.583 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.659 ' CD ' HD21 ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.788 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 12' ' ' LEU . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.559 ' C ' HD23 ' A' ' 81' ' ' LEU . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.728 ' CD2' HD23 ' A' ' 84' ' ' LEU . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.405 ' NE2' HD21 ' A' ' 91' ' ' LEU . 64.3 mm-40 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.79 0.328 . . . . 0.0 110.921 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HB3' HD11 ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 84' ' ' LEU . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 33' ' ' VAL . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 75' ' ' ASP . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.631 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.436 ' C ' HD23 ' A' ' 81' ' ' LEU . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 51' ' ' ARG . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' HD23 ' A' ' 84' ' ' LEU . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' NE2' HD21 ' A' ' 91' ' ' LEU . 87.6 mm-40 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.771 0.319 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 50' ' ' TYR . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.758 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 33' ' ' VAL . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 35' ' ' VAL . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.814 HD12 ' HB2' ' A' ' 62' ' ' ASN . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.814 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.758 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 84' ' ' LEU . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.813 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.774 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 46' ' ' ASN . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' HB3' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 58' ' ' LEU . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 93' ' ' PHE . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.774 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 88' ' ' PHE . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 84' ' ' LEU . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 84' ' ' LEU . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 68' ' ' VAL . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 38.1 mm-40 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.807 0.337 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HB3' HD11 ' A' ' 91' ' ' LEU . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.6 m120 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 54' ' ' VAL . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.512 ' CE1' HG11 ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.707 ' HD2' HD21 ' A' ' 84' ' ' LEU . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 35' ' ' VAL . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.767 ' HA ' HG23 ' A' ' 35' ' ' VAL . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 62' ' ' ASN . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.683 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' HD23 ' A' ' 81' ' ' LEU . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.849 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD2' HD23 ' A' ' 84' ' ' LEU . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.404 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' NE2' HD21 ' A' ' 91' ' ' LEU . 86.6 mm-40 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.739 0.304 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HB3' HD11 ' A' ' 91' ' ' LEU . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.751 HG11 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.557 HG23 ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.6 t-160 -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CH2' ' HD3' ' A' ' 42' ' ' PRO . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.751 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.734 ' CD ' HD21 ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 33' ' ' VAL . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 61' ' ' GLY . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 62' ' ' ASN . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' THR . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.851 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.809 HD23 ' CD2' ' A' ' 89' ' ' LEU . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.809 ' CD2' HD23 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.447 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HD21 ' A' ' 91' ' ' LEU . 49.1 mm-40 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.711 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 54' ' ' VAL . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.626 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.427 ' CB ' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.831 HD23 ' HB2' ' A' ' 46' ' ' ASN . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.831 ' HB2' HD23 ' A' ' 43' ' ' LEU . 8.6 t30 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD2' HD21 ' A' ' 84' ' ' LEU . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 33' ' ' VAL . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.626 ' HA ' HG23 ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.75 ' HB2' HD12 ' A' ' 58' ' ' LEU . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.605 ' OD2' HD12 ' A' ' 55' ' ' LEU . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.487 ' C ' HD23 ' A' ' 81' ' ' LEU . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.676 HD23 HD21 ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.676 HD21 HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.42 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.745 0.307 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.642 ' HB2' HD23 ' A' ' 43' ' ' LEU . 21.1 t-20 -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.698 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.695 HG21 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 75' ' ' ASP . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.552 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.695 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.698 HD21 ' HD2' ' A' ' 51' ' ' ARG . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.693 ' CD2' HD23 ' A' ' 84' ' ' LEU . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.493 HD21 ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 91' ' ' LEU . 54.5 mm-40 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' A' ' 70' ' ' PHE . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 4.9 t-80 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' CG ' HG23 ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.628 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 43' ' ' LEU . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.722 ' HA ' HG23 ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 58' ' ' LEU . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.943 HD12 ' HB2' ' A' ' 62' ' ' ASN . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.943 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.756 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CE1' HD21 ' A' ' 12' ' ' LEU . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.519 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 52.9 mm-40 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.776 0.322 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 70' ' ' PHE . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.484 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HH ' ' HD2' ' A' ' 88' ' ' PHE . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 7.0 p30 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 54' ' ' VAL . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.484 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.709 ' HB2' HD23 ' A' ' 43' ' ' LEU . 13.1 t30 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.438 ' OH ' ' ND2' ' A' ' 46' ' ' ASN . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.654 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 58' ' ' LEU . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 62' ' ' ASN . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.87 ' HB2' HD12 ' A' ' 58' ' ' LEU . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CE2' HG12 ' A' ' 68' ' ' VAL . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.474 HG12 ' CE2' ' A' ' 66' ' ' TYR . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 12' ' ' LEU . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 31' ' ' LEU . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.751 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.67 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 51.5 mm-40 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.736 0.303 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 54' ' ' VAL . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.631 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.816 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.483 ' OG1' HD23 ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 33' ' ' VAL . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.631 ' HA ' HG23 ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 62' ' ' ASN . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.626 ' HB2' HD12 ' A' ' 58' ' ' LEU . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.503 ' O ' HD23 ' A' ' 81' ' ' LEU . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.433 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.472 ' NE2' HD21 ' A' ' 91' ' ' LEU . 33.7 mm-40 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.78 0.324 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 91' ' ' LEU . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 70' ' ' PHE . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 mm100 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.772 ' HB2' HD23 ' A' ' 43' ' ' LEU . 7.3 t30 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.88 ' CE1' HG11 ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' HD21 ' A' ' 84' ' ' LEU . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.699 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 62' ' ' ASN . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.924 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' A' ' 12' ' ' LEU . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 81' ' ' LEU . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.712 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.432 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.443 ' NE2' HD21 ' A' ' 91' ' ' LEU . 36.7 mm-40 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.4 t -76.55 132.27 39.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.841 0.353 . . . . 0.0 110.84 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.1 m 62.19 43.71 8.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.36 127.87 0.73 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.494 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 t -43.57 106.88 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.864 0.364 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.9 m -67.67 -54.22 21.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.51 -150.45 14.33 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 8' ' ' ARG . 21.9 ttm105 -120.94 149.94 41.86 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.81 0.338 . . . . 0.0 110.885 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -90.43 157.49 17.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.7 mt -67.82 -52.34 38.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.836 ' HB3' HD11 ' A' ' 91' ' ' LEU . 41.7 mt-30 -48.36 -36.39 14.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.927 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.563 HD21 ' CE1' ' A' ' 70' ' ' PHE . 40.4 tp -77.94 -68.43 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -40.4 -42.74 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.78 -37.74 88.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 24.6 tp -70.84 -43.13 69.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.594 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.8 t -57.75 -47.56 85.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.097 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -59.77 -45.88 90.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.938 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.1 mm-40 -56.29 -62.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.1 mtp -48.96 -64.09 0.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -44.53 -69.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.12 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.498 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.3 mt-30 -36.61 -29.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.494 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.3 t-160 -88.71 -75.02 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.876 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.405 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 92.4 m-85 -46.34 -49.16 18.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.01 -35.66 0.4 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 28.9 p30 -115.31 50.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.1 m -142.82 151.19 40.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.423 HG23 ' OE2' ' A' ' 29' ' ' GLU . 35.1 m -73.11 152.0 90.46 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.642 0.734 . . . . 0.0 111.116 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 116.2 4.46 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.671 2.247 . . . . 0.0 112.297 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.423 ' OE2' HG23 ' A' ' 27' ' ' VAL . 31.6 mm-40 -86.64 136.75 32.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -93.27 95.98 9.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.695 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -122.01 152.96 39.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 m -91.03 109.6 20.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.181 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.582 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.0 p -115.04 151.99 16.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -135.22 158.82 43.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER -50.85 110.37 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 54' ' ' VAL . . . 122.43 -8.1 9.62 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -89.96 152.97 20.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.789 0.328 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 19.2 mm -102.17 135.18 40.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -156.04 178.84 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.85 139.12 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.638 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.11 140.31 15.98 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.583 0.706 . . . . 0.0 111.101 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.77 171.2 14.91 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.688 2.258 . . . . 0.0 112.336 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.836 HD23 ' HB2' ' A' ' 46' ' ' ASN . 16.8 tp -128.54 117.99 19.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.597 0.713 . . . . 0.0 110.926 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.413 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.8 Cg_endo -69.71 -18.32 37.29 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.704 2.269 . . . . 0.0 112.359 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 70.8 p -88.12 -48.4 7.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.167 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.836 ' HB2' HD23 ' A' ' 43' ' ' LEU . 10.8 t-20 -94.09 -43.73 8.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.38 35.85 5.08 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.541 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 25.2 m -144.7 161.47 39.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.88 0.372 . . . . 0.0 110.848 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.2 m95 -86.06 137.63 32.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE1' HG11 ' A' ' 16' ' ' VAL . 96.9 m-85 -139.87 132.23 28.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 49.9 mtm180 -55.37 114.02 1.64 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.884 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.33 158.58 29.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.096 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 8.5 ttt180 -109.14 123.27 48.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.917 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.582 HG21 ' CG2' ' A' ' 33' ' ' VAL . 39.8 t -64.9 132.46 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.145 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 20.6 mt -112.28 -16.99 12.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.64 -131.33 3.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.462 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 31.7 m -134.89 151.49 50.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 111.132 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.729 HD12 ' HB2' ' A' ' 62' ' ' ASN . 69.3 mt -93.78 -176.91 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.888 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.9 tm-20 -74.68 -21.63 59.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.936 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -90.11 -35.97 15.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.837 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.58 -34.17 1.82 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.481 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.729 ' HB2' HD12 ' A' ' 58' ' ' LEU . 5.2 m-20 -52.8 166.72 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.922 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.95 125.13 50.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -67.83 103.08 1.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.5 mt -94.23 149.36 21.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ARG . 7.4 t80 -118.92 106.13 12.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.2 m-30 -55.9 97.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.746 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 16.8 m -72.19 -21.49 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.149 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -81.28 -41.37 22.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.563 ' CE1' HD21 ' A' ' 12' ' ' LEU . 6.5 m-85 -102.12 -50.31 3.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 122.23 -26.76 6.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.497 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -57.96 -175.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 24.4 m120 -121.89 145.84 47.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.48 175.98 20.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -159.0 130.97 6.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.781 0.324 . . . . 0.0 110.881 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.423 ' HA ' ' ND2' ' A' ' 62' ' ' ASN . 1.7 m -166.43 153.53 8.77 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.547 0.689 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.407 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.71 141.43 45.41 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.326 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.695 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -42.28 -42.78 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -37.25 72.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 77' ' ' PRO . 51.7 m-20 -79.25 -7.09 58.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.638 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -97.8 157.47 16.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.443 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.7 mmt-85 -137.04 146.51 45.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.84 131.73 46.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.092 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.627 HD23 ' CD2' ' A' ' 89' ' ' LEU . 26.7 tp -81.41 111.09 17.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 mtp-105 -60.5 147.91 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -49.44 -41.44 40.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.17 -30.07 35.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.911 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.548 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.9 m-85 -85.89 -18.24 33.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.905 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.627 ' CD2' HD23 ' A' ' 84' ' ' LEU . 24.3 mt -86.89 -21.55 26.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 38.4 t -44.99 -27.84 0.6 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.836 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.1 tt -90.03 135.43 30.13 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.662 0.744 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.439 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.2 Cg_endo -69.71 159.7 52.48 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -69.14 113.3 6.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.48 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 74.7 mm-40 -65.98 -48.39 71.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.95 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.746 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -89.09 108.31 19.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.102 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 48.8 mm -103.87 145.63 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.172 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -70.28 -176.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 2.0 t -49.2 160.3 0.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 36.3 m -49.07 172.84 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.6 173.74 8.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.942 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 57.73 40.97 25.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.2 tpp180 -103.03 -21.45 13.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.874 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.814 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -116.6 165.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -102.41 145.43 29.54 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.144 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 53.8 m -149.58 174.28 12.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.47 -179.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 133.31 25.26 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.673 2.249 . . . . 0.0 112.364 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.7 m -58.21 132.59 54.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.4 p -61.68 152.63 30.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.897 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.487 -179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.5 m -127.93 135.83 50.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 110.85 -179.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.7 p -108.23 109.51 20.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.851 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.9 128.87 4.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.482 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -66.43 -43.84 84.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.902 0.382 . . . . 0.0 110.849 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.9 m -112.72 136.89 51.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.46 166.12 33.16 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.4 ttm180 -91.59 147.3 23.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.784 0.326 . . . . 0.0 110.875 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.7 m -111.31 155.54 22.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.27 -52.31 66.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.775 ' HB3' HD11 ' A' ' 91' ' ' LEU . 77.5 mt-30 -51.11 -38.23 50.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.938 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 ' O ' ' N ' ' A' ' 15' ' ' LEU . 29.2 tp -76.17 -68.17 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -39.29 -42.36 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -64.87 -37.58 88.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.919 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 12' ' ' LEU . 24.4 tp -71.0 -40.77 71.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.887 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 50' ' ' TYR . 93.2 t -59.68 -47.36 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.067 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -61.25 -45.61 93.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.8 mt-10 -54.86 -61.46 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 60.6 mtp -50.67 -67.5 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.2 m -40.42 -70.69 0.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.491 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 8.8 mt-30 -34.68 -33.75 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.479 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -86.59 -74.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 95.4 m-85 -46.26 -51.44 14.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 23' ' ' TYR . 20.3 pt-20 -33.96 -38.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.886 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.491 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 3.9 p30 -116.04 61.53 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -146.22 149.96 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 34.8 m -72.44 151.96 91.9 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.61 0.719 . . . . 0.0 111.12 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.92 3.53 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.25 . . . . 0.0 112.335 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -87.28 130.67 34.51 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -91.17 97.04 10.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.661 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -121.45 156.81 31.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.927 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 92.9 m -92.42 108.68 20.15 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -115.98 150.73 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 -135.64 148.6 49.03 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -43.61 110.61 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.108 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.49 -1.94 6.08 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.45 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' O ' HD13 ' A' ' 38' ' ' ILE . 4.8 m-20 -100.12 173.13 6.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.797 0.332 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 37' ' ' ASP . 42.6 mm -124.69 120.09 57.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.138 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.8 m -136.48 174.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.098 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.95 138.06 38.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.605 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.61 141.46 17.78 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.571 0.701 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HA ' ' O ' ' A' ' 48' ' ' SER . 53.9 Cg_endo -69.71 172.11 13.18 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.71 2.273 . . . . 0.0 112.339 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 47' ' ' GLY . 13.9 tp -128.7 121.28 21.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.639 0.733 . . . . 0.0 110.895 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.34 30.63 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.626 2.217 . . . . 0.0 112.386 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 64.7 p -93.69 -42.33 9.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.147 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -104.33 -42.83 5.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 98.78 24.43 10.78 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 42.3 m -126.35 168.81 13.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.882 0.373 . . . . 0.0 110.831 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.505 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 47.6 m95 -95.24 137.0 34.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.937 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.572 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 92.0 m-85 -135.25 137.19 42.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.556 ' HD2' HD21 ' A' ' 84' ' ' LEU . 62.2 mtm180 -61.95 109.62 1.32 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -117.94 164.52 14.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.156 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.417 ' HD2' ' C ' ' A' ' 53' ' ' ARG . 6.4 tmm_? -114.73 126.31 54.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.837 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.563 HG21 ' CG2' ' A' ' 33' ' ' VAL . 42.6 t -64.06 132.86 29.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.168 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.739 HD12 ' CG ' ' A' ' 64' ' ' ASP . 20.7 mt -112.58 -15.47 13.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.987 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.68 -129.68 2.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 6.6 m -140.89 145.04 35.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.854 0.359 . . . . 0.0 111.13 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.808 HD12 ' HB2' ' A' ' 62' ' ' ASN . 64.3 mt -86.04 179.69 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -72.08 -23.59 61.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.927 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -85.44 -38.59 18.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.888 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.4 -30.9 1.84 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.435 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.808 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.3 m-20 -53.8 177.95 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.925 0.393 . . . . 0.0 110.833 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.5 mt -120.27 124.45 45.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.739 ' CG ' HD12 ' A' ' 55' ' ' LEU . 67.2 t0 -67.24 106.69 2.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.829 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -97.92 144.52 27.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -114.59 106.9 14.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.933 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.0 m-85 -59.03 103.97 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 27.4 m -79.39 -8.68 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -97.13 -27.0 14.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -118.02 -38.66 3.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 108.65 -31.83 7.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.465 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.58 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.846 0.355 . . . . 0.0 110.834 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -118.73 146.52 44.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -138.37 168.2 24.73 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.484 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.612 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.2 OUTLIER -152.26 132.5 13.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.836 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.23 153.32 6.46 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.619 0.723 . . . . 0.0 110.873 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.06 41.83 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.243 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.661 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -43.6 -40.86 4.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -36.97 72.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -80.91 -6.27 58.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.605 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -97.17 156.9 16.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.95 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.505 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.0 mmt-85 -134.01 123.9 25.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.561 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -46.79 136.51 7.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.081 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.556 HD21 ' HD2' ' A' ' 51' ' ' ARG . 17.7 tp -84.02 129.46 34.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.9 mtt85 -82.64 154.23 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.879 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.4 t -56.89 -28.26 61.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -65.67 -24.65 67.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.853 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.1 m-85 -93.82 -17.4 23.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.826 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.516 ' CD2' HD23 ' A' ' 84' ' ' LEU . 15.2 mt -86.99 -20.34 27.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.944 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 15.4 t -45.8 -26.93 0.74 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.775 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -92.36 135.9 26.19 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.647 0.736 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.1 Cg_endo -69.78 160.57 49.22 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -69.61 112.77 6.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -65.38 -47.42 76.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.969 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -96.74 105.93 18.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 23.2 mm -93.21 140.2 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -38.8 147.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 22.8 p -43.01 140.26 1.47 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.438 ' O ' ' C ' ' A' ' 100' ' ' LEU . 13.6 m -137.33 177.38 7.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 99' ' ' SER . 51.2 mt -34.69 122.25 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -83.73 103.77 13.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.11 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 61.5 mtt180 -119.1 110.16 16.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.664 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.4 pp -106.04 162.79 4.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.124 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -160.79 149.8 16.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.126 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.0 p -85.58 147.49 26.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -166.77 140.31 6.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.498 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 129.25 17.29 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.347 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.0 t -93.91 -57.11 2.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 98.5 p -159.85 108.01 1.72 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.81 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.513 -179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.0 p -124.39 -3.36 7.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -109.4 132.48 54.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.31 -131.51 10.82 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m -53.34 125.27 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.897 0.379 . . . . 0.0 110.886 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -65.46 115.7 5.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.19 -128.78 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.5 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -127.11 100.8 6.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 0.0 110.898 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.1 m -70.21 151.96 44.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.9 mt -52.83 -43.24 65.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' HB3' HD11 ' A' ' 91' ' ' LEU . 62.8 mt-30 -62.91 -24.54 67.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.3 tp -85.07 -61.86 1.67 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -41.24 -42.68 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.871 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -66.83 -43.44 83.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 7.3 tp -64.42 -38.72 92.03 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.873 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 96.1 t -59.72 -41.12 84.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.094 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -63.0 -55.91 21.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -47.67 -48.98 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 67.0 mtp -58.94 -63.2 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.593 HG22 ' OE1' ' A' ' 24' ' ' GLU . 22.5 m -42.45 -72.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.126 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -41.13 -44.46 2.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.1 t-160 -62.35 -70.0 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.595 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 68.2 m-85 -59.2 -60.39 3.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.593 ' OE1' HG22 ' A' ' 20' ' ' THR . 11.5 pt-20 -34.08 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.0 m-20 -109.11 52.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.859 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 23' ' ' TYR . 18.1 m -147.08 -179.11 6.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.838 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.17 152.61 38.64 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.581 0.705 . . . . 0.0 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 113.45 3.38 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -88.46 129.29 35.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.885 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -91.57 93.29 8.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.764 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.3 pt? -119.68 153.65 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 m -85.66 109.68 18.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.173 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.5 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.7 p -120.14 136.88 55.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 57.7 m-70 -124.3 157.68 34.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.882 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.797 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -47.32 110.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.104 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.69 -18.43 4.86 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.451 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -85.18 164.73 17.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.745 0.307 . . . . 0.0 110.897 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.592 HD13 ' HG3' ' A' ' 53' ' ' ARG . 27.2 mm -114.63 133.3 61.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.155 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.3 m -155.01 166.9 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.54 144.19 29.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.819 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.1 142.06 16.57 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.084 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.441 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.75 174.92 8.79 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.686 2.257 . . . . 0.0 112.36 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -129.46 122.83 21.06 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.646 0.736 . . . . 0.0 110.882 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.8 17.09 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.373 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.9 p -106.01 -32.94 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -111.81 -42.03 3.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.75 22.07 32.06 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.9 m -123.78 144.45 49.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.448 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 53.1 m95 -75.65 130.25 38.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -131.09 136.25 48.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.414 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.4 mtm180 -57.16 117.91 4.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.566 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -129.4 148.32 51.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.592 ' HG3' HD13 ' A' ' 38' ' ' ILE . 19.1 ttm180 -101.85 126.09 48.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.85 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.5 HG21 ' CG2' ' A' ' 33' ' ' VAL . 47.5 t -64.51 130.83 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.138 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.797 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -114.63 -13.34 12.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.69 -128.86 2.83 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 46.7 m -141.85 152.74 43.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 0.0 111.118 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.765 HD11 ' HB3' ' A' ' 75' ' ' ASP . 72.0 mt -94.11 -178.86 4.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -73.57 -27.8 61.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -80.51 -38.05 30.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.77 -36.56 1.42 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.45 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.642 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.5 m-20 -51.55 171.5 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.3 mt -109.74 126.93 54.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.4 t0 -69.55 101.15 1.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.566 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.6 mt -93.59 160.63 14.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -127.22 105.53 8.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.92 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.478 ' O ' ' N ' ' A' ' 71' ' ' GLY . 33.1 m-85 -56.61 108.97 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.848 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 32.7 m -75.29 -19.23 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 11.4 m-20 -85.35 -39.29 17.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -101.18 -43.43 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 112.02 -32.83 6.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.546 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -55.67 177.34 0.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.806 0.336 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -113.29 131.44 55.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.88 -173.29 18.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.494 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.765 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -164.51 128.58 2.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.829 0.347 . . . . 0.0 110.895 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.6 m -163.43 154.63 14.35 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.599 0.714 . . . . 0.0 110.904 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 138.97 39.04 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.678 2.252 . . . . 0.0 112.407 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.764 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -46.27 -44.37 16.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -54.73 -33.94 61.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.83 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' O ' HD23 ' A' ' 81' ' ' LEU . 45.9 t0 -89.96 18.49 5.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.819 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -114.09 158.28 21.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 18.7 mmt-85 -138.33 132.67 31.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.86 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.74 103.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.641 HD23 HD21 ' A' ' 89' ' ' LEU . 19.0 tp -42.12 115.33 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 15.7 mmt85 -60.95 161.96 7.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -64.48 -34.58 78.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.842 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -66.19 -28.64 68.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.507 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.3 m-85 -82.78 -13.62 55.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.641 HD21 HD23 ' A' ' 84' ' ' LEU . 20.2 mt -93.77 -12.83 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.3 t -52.1 -30.59 26.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.553 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.3 tt -91.02 136.78 27.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.633 0.73 . . . . 0.0 110.947 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 162.07 43.5 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.368 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.729 ' O ' HD11 ' A' ' 96' ' ' ILE . 15.7 m-85 -68.41 106.14 2.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.899 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.466 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 39.9 mm-40 -56.36 -41.96 77.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -101.21 113.1 25.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.729 HD11 ' O ' ' A' ' 93' ' ' PHE . 13.9 mm -109.29 149.21 12.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 96' ' ' ILE . 15.2 pt-20 34.49 34.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 96' ' ' ILE . 10.3 t -89.29 38.76 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.9 m -100.62 152.77 20.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 19.6 mt -51.68 111.91 0.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.916 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.9 133.36 51.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -117.0 111.76 20.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.675 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.3 pp -85.11 168.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.102 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -156.43 137.33 13.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.095 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 107' ' ' PRO . 67.8 m -70.38 157.26 38.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 107' ' ' PRO . . . 130.34 -60.02 0.68 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 106' ' ' GLY . 54.4 Cg_endo -69.7 2.43 3.5 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.703 2.269 . . . . 0.0 112.35 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 53.9 p -34.64 -48.78 0.39 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 -179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 63.2 p -44.57 136.3 4.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.867 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.519 -179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 m -130.63 -54.18 1.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.4 p -66.76 112.67 4.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 70.64 58.53 5.8 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.5 m -47.89 -59.61 3.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.846 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 82.0 p 35.07 40.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.837 -179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.6 -170.37 41.75 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.508 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 88.3 mtt180 -149.05 112.8 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.804 0.335 . . . . 0.0 110.872 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.4 m -68.55 149.45 49.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 45.1 mt -52.25 -51.99 55.18 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 22.6 mt-30 -50.55 -41.09 53.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.8 tp -73.46 -70.03 0.39 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.1 t0 -39.58 -38.83 0.64 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.842 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.63 -45.47 78.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.871 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.3 tp -65.67 -38.34 89.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 91.5 t -62.78 -50.8 78.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.11 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -58.28 -54.64 44.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.877 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -45.83 -64.67 0.68 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 40.3 mtp -44.71 -69.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' HIS . 59.0 m -42.28 -69.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.497 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 2.2 mm100 -35.52 -33.95 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.438 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.0 t-160 -83.73 -75.06 0.35 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.851 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.48 ' O ' ' N ' ' A' ' 26' ' ' SER . 97.9 m-85 -44.78 -51.55 9.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.928 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 10.8 pt-20 -37.95 -35.7 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.877 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 26.2 p30 -106.67 43.65 1.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.48 ' N ' ' O ' ' A' ' 23' ' ' TYR . 2.0 m -133.99 176.81 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.89 152.47 37.82 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.653 0.74 . . . . 0.0 111.129 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 111.14 2.73 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.7 2.267 . . . . 0.0 112.302 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -88.45 127.92 35.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.8 m-20 -90.7 98.03 11.53 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.558 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.6 pt? -122.74 150.83 42.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.896 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 20.2 m -81.8 108.86 15.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.8 p -116.57 140.76 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -122.63 157.37 32.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.66 HG23 ' HA ' ' A' ' 55' ' ' LEU . 0.9 OUTLIER -50.67 114.37 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.46 -23.5 6.02 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.58 160.32 29.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.822 0.344 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.435 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 47.8 mm -109.92 128.95 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.084 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.3 m -149.66 165.67 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 141.11 29.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.104 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.74 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.85 138.97 13.39 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.578 0.704 . . . . 0.0 111.11 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.72 171.97 13.44 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.257 . . . . 0.0 112.375 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.611 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.6 tp -120.73 120.38 29.59 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.568 0.699 . . . . 0.0 110.925 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -3.0 11.12 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 59.1 p -104.62 -43.51 5.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.138 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.611 ' HB2' HD23 ' A' ' 43' ' ' LEU . 59.8 m-20 -106.59 -35.81 6.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.84 40.37 5.93 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.468 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.542 ' HB2' ' CE1' ' A' ' 50' ' ' TYR . 66.2 m -136.2 152.6 50.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.777 0.322 . . . . 0.0 110.878 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.8 m95 -84.24 131.23 34.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.899 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.542 ' CE1' ' HB2' ' A' ' 48' ' ' SER . 75.9 m-85 -133.88 137.47 44.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.54 ' HD2' HD21 ' A' ' 84' ' ' LEU . 52.9 mtm180 -59.1 106.8 0.46 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.521 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -118.1 153.93 32.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.076 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.435 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 7.2 ttt180 -107.76 125.64 51.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG21 ' CG2' ' A' ' 33' ' ' VAL . 61.1 t -64.56 129.97 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.66 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.7 mt -110.77 -13.84 14.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.904 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.12 -132.45 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.404 HG22 ' N ' ' A' ' 58' ' ' LEU . 22.1 m -135.56 154.88 51.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.936 HD12 ' HB2' ' A' ' 62' ' ' ASN . 56.6 mt -95.47 -177.18 4.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -79.08 -15.85 57.6 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -96.28 -30.53 13.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 139.19 -39.69 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.936 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.1 m-20 -49.71 169.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.943 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.32 132.78 54.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -76.79 103.35 6.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.521 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.2 mt -96.11 150.02 20.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.878 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.442 ' OH ' ' N ' ' A' ' 97' ' ' GLU . 6.9 t80 -119.13 107.09 13.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 50' ' ' TYR . 40.4 m-85 -57.12 99.89 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.0 m -70.0 -16.05 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.158 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -91.18 -38.9 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -96.92 -53.89 3.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.64 -37.7 2.27 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.496 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -62.81 176.39 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.831 0.348 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -118.21 127.01 53.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.858 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -112.4 164.16 12.1 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.506 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.6 p-10 -130.68 138.26 49.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.819 0.342 . . . . 0.0 110.841 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.63 150.43 4.76 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.605 0.717 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 140.22 41.97 Favored 'Trans proline' 0 C--O 1.232 0.216 0 C-N-CA 122.689 2.259 . . . . 0.0 112.318 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.1 tt -46.52 -34.93 5.24 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.929 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.467 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -61.06 -38.29 85.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.929 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.477 ' C ' HD23 ' A' ' 81' ' ' LEU . 46.6 m-20 -85.24 16.34 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.74 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.3 mt -111.94 150.56 30.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 16.0 mmt-85 -135.09 133.77 39.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.08 109.91 0.83 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.103 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.6 tp -55.68 119.71 6.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.4 mtp85 -62.86 163.47 9.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.925 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 11.2 p -66.37 -39.78 89.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -59.22 -25.0 63.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.876 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -86.68 -14.7 41.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.859 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.8 mt -92.92 -18.29 22.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.2 t -46.66 -23.58 0.43 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.873 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -93.98 134.98 25.21 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.569 0.699 . . . . 0.0 110.887 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 154.07 68.31 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.732 ' O ' HD11 ' A' ' 96' ' ' ILE . 13.7 m-85 -63.52 114.64 4.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.491 ' NE2' HD21 ' A' ' 91' ' ' LEU . 73.5 mm-40 -65.78 -47.57 74.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -112.8 107.93 16.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.732 HD11 ' O ' ' A' ' 93' ' ' PHE . 2.7 mp -100.15 137.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' N ' ' OH ' ' A' ' 66' ' ' TYR . 21.6 tt0 -71.59 132.12 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 51.4 t -52.06 115.93 1.94 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 35.4 p -148.39 145.01 27.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' A' ' 101' ' ' ALA . 21.3 tp -54.72 158.61 2.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.427 ' N ' ' HG ' ' A' ' 100' ' ' LEU . . . -53.2 175.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.102 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -104.45 142.83 33.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 71.7 mt -142.15 119.53 7.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -130.27 171.06 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 t -122.33 111.03 16.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -59.2 151.15 35.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.456 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -179.21 2.76 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.237 . . . . 0.0 112.326 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.8 t -118.06 154.23 32.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 72.2 m -75.12 -63.59 1.24 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.998 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -82.81 161.94 21.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.862 0.363 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.3 p -123.32 131.16 53.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.72 164.66 23.01 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -74.27 120.64 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.88 0.371 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.1 t -90.5 125.26 35.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.913 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.04 153.91 34.7 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 9' ' ' SER . 13.5 tpp180 -95.31 152.7 18.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.804 0.335 . . . . 0.0 110.914 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 8' ' ' ARG . 67.8 m -115.97 157.92 23.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 13.1 mt -69.39 -65.93 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.905 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.701 ' HB3' HD11 ' A' ' 91' ' ' LEU . 12.5 mm-40 -50.09 -32.28 15.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 50.5 tp -73.63 -64.83 0.91 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -44.01 -39.82 4.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.24 -44.86 82.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.0 tp -65.38 -45.33 84.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.405 HG11 ' CE1' ' A' ' 50' ' ' TYR . 96.4 t -56.5 -39.23 60.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -65.73 -57.28 8.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 76.4 mm-40 -46.81 -48.4 20.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.437 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -56.08 -61.72 2.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.445 HG22 ' OE1' ' A' ' 24' ' ' GLU . 62.0 m -46.8 -74.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 20' ' ' THR . 10.3 mm-40 -35.17 -39.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.931 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.2 t-160 -71.33 -69.49 0.37 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.813 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' C ' ' A' ' 24' ' ' GLU . 63.4 m-85 -59.29 -56.4 22.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 23' ' ' TYR . 9.2 pt-20 -31.58 -37.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 m-20 -113.14 56.08 0.69 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 23' ' ' TYR . 94.1 p -142.69 177.86 8.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -99.41 152.59 37.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.661 0.743 . . . . 0.0 111.079 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 111.37 2.79 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.678 2.252 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -86.97 124.14 32.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -87.07 93.54 9.39 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -118.73 152.43 36.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.0 m -89.57 108.34 19.61 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.185 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 54' ' ' VAL . 5.2 p -114.07 147.6 17.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -129.7 150.49 51.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.835 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.747 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -44.28 112.54 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.68 -9.79 7.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.512 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -91.05 165.97 13.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 28.4 mm -114.3 134.58 56.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -154.36 170.43 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.69 142.39 32.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.72 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -150.29 139.05 12.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.108 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.512 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.6 Cg_endo -69.74 168.96 20.03 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.36 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.435 HD13 ' HZ ' ' A' ' 67' ' ' PHE . 10.3 tp -119.5 119.89 31.21 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.621 0.724 . . . . 0.0 110.95 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -3.04 11.22 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.71 2.274 . . . . 0.0 112.302 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 45.0 p -94.1 -51.76 4.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.17 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 p-10 -111.3 -32.74 6.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.929 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.7 58.05 1.46 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.485 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.498 ' HB2' ' CE2' ' A' ' 50' ' ' TYR . 50.9 m -147.6 133.65 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.86 0.362 . . . . 0.0 110.882 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.512 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 67.0 m95 -68.7 135.01 50.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.915 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.498 ' CE2' ' HB2' ' A' ' 48' ' ' SER . 94.0 m-85 -136.89 149.74 47.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.448 ' HD2' HD21 ' A' ' 84' ' ' LEU . 30.9 mtm180 -73.86 110.4 8.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.88 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -123.34 157.11 34.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.11 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.427 ' O ' ' N ' ' A' ' 66' ' ' TYR . 11.7 ttp180 -106.2 127.41 53.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.834 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.439 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.4 t -65.02 131.63 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.747 ' HA ' HG23 ' A' ' 35' ' ' VAL . 24.6 mt -114.17 -10.12 12.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.03 -126.47 2.44 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.458 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 61' ' ' GLY . 25.3 m -144.08 149.13 36.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 0.0 111.131 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.859 HD12 ' HB2' ' A' ' 62' ' ' ASN . 66.3 mt -88.31 -175.72 5.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -77.95 -24.21 48.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -86.72 -36.21 18.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 57' ' ' THR . . . 145.8 -40.35 1.09 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.498 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.859 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -47.57 166.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 0.0 110.881 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -106.73 127.06 53.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -68.8 100.97 1.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 1.8 mt -94.09 150.97 19.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.911 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.427 ' N ' ' O ' ' A' ' 53' ' ' ARG . 6.3 t80 -118.56 105.51 11.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.435 ' HZ ' HD13 ' A' ' 43' ' ' LEU . 3.8 m-30 -55.44 116.82 3.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.855 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.53 HG23 ' OD1' ' A' ' 69' ' ' ASP . 34.1 m -91.31 -5.02 10.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.129 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.53 ' OD1' HG23 ' A' ' 68' ' ' VAL . 1.0 OUTLIER -107.66 -13.94 14.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -124.35 -32.03 3.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.869 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 99.62 -29.61 11.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -65.63 175.32 1.89 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -115.82 142.8 46.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.913 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -125.49 -173.2 13.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.449 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.721 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -162.94 132.75 4.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.785 0.326 . . . . 0.0 110.926 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -167.42 154.48 8.06 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.574 0.702 . . . . 0.0 110.926 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 145.81 58.44 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.364 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.589 HD11 ' O ' ' A' ' 31' ' ' LEU . 3.4 tt -51.97 -38.02 55.08 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.943 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' C ' ' A' ' 79' ' ' LYS . 0.0 OUTLIER -58.05 -33.81 69.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.806 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.537 ' C ' HD23 ' A' ' 81' ' ' LEU . 25.7 t0 -92.05 16.55 10.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.72 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.95 150.77 33.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.418 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 40.1 mmt-85 -134.64 128.5 33.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -55.92 100.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.149 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 88' ' ' PHE . 19.4 tp -39.05 115.34 0.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 48.8 mmt-85 -55.62 161.52 2.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.0 m -65.47 -33.77 76.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -66.66 -37.62 85.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.642 ' HB3' HD11 ' A' ' 84' ' ' LEU . 19.3 m-85 -69.43 -19.84 63.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.556 HD21 HD23 ' A' ' 84' ' ' LEU . 17.8 mt -88.86 -9.26 52.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.9 t -55.04 -27.65 46.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.701 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.9 tt -92.81 136.02 25.44 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.618 0.723 . . . . 0.0 110.91 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.401 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.4 Cg_endo -69.74 147.86 63.91 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.348 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -58.78 114.58 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.82 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 69.6 mm-40 -66.43 -45.13 80.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.424 ' HB3' ' C ' ' A' ' 68' ' ' VAL . . . -94.91 98.03 10.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.047 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 49.7 mm -87.39 136.55 22.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.151 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -179.6 0.12 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 71.4 m -76.91 122.39 24.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.924 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.1 t -128.39 171.79 11.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 59.4 mt -58.48 89.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -163.27 138.21 6.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 101' ' ' ALA . 0.1 OUTLIER -34.6 147.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.903 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.514 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.1 OUTLIER -138.52 156.65 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . 46.8 44.41 14.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.11 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 4.4 m -114.58 86.34 2.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 70.68 178.1 25.16 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.513 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 -1.96 9.34 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 73.9 m -97.68 94.27 6.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 60.7 p -77.88 93.98 4.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 -179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -95.7 -46.21 6.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.854 0.359 . . . . 0.0 110.834 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t 67.82 44.12 1.63 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.803 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.96 -67.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 m -53.46 -55.74 22.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.931 0.396 . . . . 0.0 110.913 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -78.61 -55.08 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.859 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 46.17 -137.66 7.87 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.476 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.722 ' NH2' HG11 ' A' ' 16' ' ' VAL . 21.4 mtp180 -51.31 136.03 25.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 0.0 110.909 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.4 m -60.93 140.03 57.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 48.6 mt -46.77 -54.16 10.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB3' HD11 ' A' ' 91' ' ' LEU . 28.9 mt-30 -51.17 -41.51 60.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -73.3 -68.55 0.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -38.76 -37.63 0.35 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.469 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -71.3 -47.76 54.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.883 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.469 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 11.9 tp -62.14 -36.61 82.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.722 HG11 ' NH2' ' A' ' 8' ' ' ARG . 76.3 t -60.81 -49.77 83.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.114 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -56.28 -55.04 38.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 63.9 mm-40 -46.3 -53.55 10.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 53.8 mtp -54.31 -65.38 0.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.452 ' O ' ' N ' ' A' ' 24' ' ' GLU . 7.2 m -44.05 -71.36 0.08 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.106 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 13.0 mm-40 -36.95 -41.73 0.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 23.8 t-160 -67.56 -66.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.485 ' O ' ' N ' ' A' ' 26' ' ' SER . 47.3 m-85 -62.59 -58.93 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' C ' ' O ' ' A' ' 23' ' ' TYR . 10.7 pt-20 -32.0 -40.64 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.462 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 58.5 m-20 -105.09 51.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 23' ' ' TYR . 7.0 m -148.62 -178.37 6.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.7 152.58 38.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.622 0.725 . . . . 0.0 111.095 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 115.46 4.11 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.692 2.262 . . . . 0.0 112.331 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -86.65 129.23 34.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.35 93.33 9.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.2 pt? -120.1 151.15 39.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.935 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 88.9 m -89.43 112.51 23.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.446 HG21 HG21 ' A' ' 54' ' ' VAL . 8.3 p -118.51 147.6 21.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.151 179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 -130.43 149.15 52.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.878 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.696 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -43.54 113.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.34 -18.52 5.22 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.52 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.41 ' O ' HD13 ' A' ' 38' ' ' ILE . 3.5 m-20 -87.41 167.5 13.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 110.845 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.444 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 24.1 mm -116.29 134.27 60.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 30.7 m -153.66 170.82 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.128 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -101.43 142.37 32.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -145.01 141.1 16.87 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.538 0.685 . . . . 0.0 111.117 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.552 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.73 161.12 47.14 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.633 2.222 . . . . 0.0 112.362 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.714 HD23 ' HB2' ' A' ' 46' ' ' ASN . 9.3 tp -114.29 121.56 36.07 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.703 . . . . 0.0 110.915 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -16.79 37.36 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.629 2.219 . . . . 0.0 112.344 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 44.0 p -90.02 -49.87 6.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.714 ' HB2' HD23 ' A' ' 43' ' ' LEU . 27.1 m-20 -92.76 -43.18 9.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 97.04 40.44 3.77 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.516 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.0 m -146.41 164.21 33.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.846 0.355 . . . . 0.0 110.85 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.552 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 58.4 m95 -87.74 138.47 31.43 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.535 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 18.8 m-85 -139.4 141.26 37.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.954 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.586 ' HD2' HD21 ' A' ' 84' ' ' LEU . 41.3 mtm180 -62.63 119.62 9.58 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -132.03 160.26 36.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.073 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.444 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 27.1 ttm-85 -109.9 127.14 54.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.456 HG12 ' HA ' ' A' ' 35' ' ' VAL . 52.5 t -67.46 125.25 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.182 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.696 ' HA ' HG23 ' A' ' 35' ' ' VAL . 13.3 mt -109.11 -12.38 14.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.88 -130.58 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.507 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.549 HG22 ' N ' ' A' ' 58' ' ' LEU . 91.7 m -136.43 160.65 38.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.834 0.349 . . . . 0.0 111.188 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.771 HD12 ' HB2' ' A' ' 62' ' ' ASN . 88.5 mt -102.07 177.94 4.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.927 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -70.29 -27.03 64.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.7 p30 -83.84 -36.91 23.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.431 ' O ' HG23 ' A' ' 57' ' ' THR . . . 144.86 -38.11 1.3 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.446 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.771 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.6 m-20 -49.66 170.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.834 0.349 . . . . 0.0 110.86 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.2 mt -108.89 127.7 54.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.943 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.3 t0 -68.91 100.13 1.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.19 149.95 20.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.878 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -119.63 105.54 11.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.539 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -55.24 103.4 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -75.56 -22.49 16.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.141 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -82.08 -44.76 16.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.893 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 8.2 m-85 -93.7 -54.31 3.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 126.94 -34.03 3.22 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.51 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.418 ' OD1' ' C ' ' A' ' 72' ' ' ASP . 37.7 p30 -59.75 179.58 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.885 0.374 . . . . 0.0 110.802 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 25.0 m120 -115.82 141.49 48.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.96 -176.74 14.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.478 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.594 ' HB3' HD11 ' A' ' 58' ' ' LEU . 1.3 p30 -161.79 129.5 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.353 . . . . 0.0 110.853 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 75' ' ' ASP . 2.1 m -167.48 151.72 6.42 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.565 0.698 . . . . 0.0 110.908 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 143.76 51.95 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.639 2.226 . . . . 0.0 112.384 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.606 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.2 -41.92 6.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.13 -36.26 70.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.811 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.488 ' C ' HD23 ' A' ' 81' ' ' LEU . 35.7 m-20 -85.75 13.63 6.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.693 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -112.75 156.03 23.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.529 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 21.7 mmt-85 -135.34 134.6 39.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -60.93 103.06 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.032 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.64 HD11 ' HB3' ' A' ' 88' ' ' PHE . 23.1 tp -51.7 114.74 1.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -64.59 169.4 4.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -62.21 -49.64 74.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.884 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -45.75 -47.99 15.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.64 ' HB3' HD11 ' A' ' 84' ' ' LEU . 23.7 m-85 -66.44 -24.28 66.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.566 ' CD2' HD23 ' A' ' 84' ' ' LEU . 16.0 mt -87.73 -12.71 44.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.1 t -53.27 -30.16 36.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.528 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -89.2 135.36 31.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.672 0.749 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.7 157.16 61.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.711 2.274 . . . . 0.0 112.337 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.568 ' O ' HD11 ' A' ' 96' ' ' ILE . 16.6 m-85 -64.79 117.21 7.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.487 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 73.4 mm-40 -69.62 -38.03 77.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.929 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -130.8 102.7 6.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.07 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.622 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.3 mp -95.76 155.76 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 96' ' ' ILE . 6.6 pm0 -55.9 -176.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 12.7 t 64.73 40.98 5.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 100' ' ' LEU . 57.8 m -105.39 167.29 9.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.845 -179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.527 ' H ' HD12 ' A' ' 100' ' ' LEU . 8.5 mp -34.72 117.99 0.4 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.93 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.1 107.64 10.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.085 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.818 ' HG2' HD12 ' A' ' 103' ' ' ILE . 12.5 ttm180 -135.45 173.17 12.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.818 HD12 ' HG2' ' A' ' 102' ' ' ARG . 5.2 mp 35.17 54.69 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -90.83 134.57 34.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 84.8 p -85.13 174.4 9.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.88 145.64 16.74 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.434 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.648 2.232 . . . . 0.0 112.323 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 69.4 m -108.24 164.3 12.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 29.2 t -128.28 151.12 49.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.871 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.499 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.4 p -81.41 125.07 29.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 0.0 110.867 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.6 t -152.37 142.06 21.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -109.02 -129.79 5.95 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.517 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 m -114.08 90.8 3.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.906 0.384 . . . . 0.0 110.877 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.2 m -79.78 -61.88 1.86 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.828 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.14 146.08 9.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.521 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.0 ttm180 -168.87 159.25 9.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.827 0.346 . . . . 0.0 110.865 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.8 m -100.81 157.39 16.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.83 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.64 -48.76 71.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.899 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.426 ' HB3' HD11 ' A' ' 91' ' ' LEU . 36.7 mt-30 -52.96 -38.99 62.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.913 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.823 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.9 tp -75.88 -67.5 0.67 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -41.1 -42.73 2.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.88 -42.12 99.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.864 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.2 tp -66.14 -43.86 85.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.938 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 80.8 t -54.84 -41.04 55.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.116 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.05 -47.01 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -55.85 -49.63 72.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.8 mtp -57.56 -57.53 12.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 31.5 m -50.93 -71.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.169 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 20' ' ' THR . 9.2 mm-40 -35.01 -31.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.942 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 21.7 t-160 -82.23 -67.21 0.8 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.873 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.479 ' O ' ' N ' ' A' ' 25' ' ' ASN . 72.7 m-85 -60.05 -53.17 60.92 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 23' ' ' TYR . 8.5 pt-20 -32.77 -36.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' TYR . 74.2 m-20 -113.65 58.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 90.1 p -143.34 -177.19 5.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.0 m -106.19 152.47 40.46 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.595 0.712 . . . . 0.0 111.123 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.402 ' HA ' ' NH1' ' A' ' 82' ' ' ARG . 53.6 Cg_endo -69.74 110.61 2.59 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.644 2.229 . . . . 0.0 112.34 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.8 mm-40 -87.57 128.81 35.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -88.84 93.33 9.55 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.839 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.451 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.2 pt? -119.84 147.39 44.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.963 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 89.0 m -82.95 109.7 17.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.529 ' CG2' HG21 ' A' ' 54' ' ' VAL . 8.1 p -119.34 131.58 71.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.112 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 43.1 m-70 -118.55 152.28 36.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.741 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -40.64 114.19 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.166 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 127.54 -29.19 4.31 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.533 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -75.45 158.43 32.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.839 0.352 . . . . 0.0 110.846 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 33.2 mm -108.69 138.33 36.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -154.22 178.32 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.57 141.79 43.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.115 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.777 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.73 140.46 14.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.591 0.71 . . . . 0.0 111.121 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.2 Cg_endo -69.73 158.98 55.12 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.704 HD23 ' CB ' ' A' ' 46' ' ' ASN . 11.4 tp -111.29 120.83 41.99 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.629 0.728 . . . . 0.0 110.914 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -14.71 36.62 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.357 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.2 p -96.52 -49.17 5.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.106 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.704 ' CB ' HD23 ' A' ' 43' ' ' LEU . 1.9 t30 -90.02 -38.17 13.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 87.67 47.99 4.36 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.477 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 61.7 m -157.76 157.43 33.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.551 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 63.9 m95 -81.41 140.39 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.915 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -137.99 165.61 26.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.569 ' HD2' HD21 ' A' ' 84' ' ' LEU . 43.3 mtm180 -89.18 111.34 22.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.541 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -126.41 157.64 38.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.105 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 66' ' ' TYR . 10.4 ttt180 -108.55 125.3 51.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.529 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.0 t -62.54 131.79 28.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.741 ' HA ' HG23 ' A' ' 35' ' ' VAL . 40.1 mt -110.56 -17.08 13.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.48 -128.04 2.32 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.487 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 48.2 m -141.44 147.71 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 111.165 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.556 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.7 mt -93.18 177.89 5.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -70.3 -32.31 70.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -76.03 -38.18 57.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.924 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.3 -31.75 2.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.509 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.556 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.56 171.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.85 0.357 . . . . 0.0 110.896 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.7 mt -111.02 126.03 54.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -71.74 98.56 1.97 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.89 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 6.1 mt -91.99 152.46 19.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.0 t80 -118.65 105.6 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.953 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.541 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.4 m-85 -57.77 100.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.845 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.606 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 17.7 m -72.13 -26.41 24.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -73.74 -44.12 57.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.823 ' CE1' HD21 ' A' ' 12' ' ' LEU . 5.2 m-85 -98.22 -51.33 4.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.848 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.13 -32.87 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.446 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -63.07 177.54 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.779 0.323 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -117.3 140.45 49.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -126.98 165.69 20.09 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -132.17 138.35 47.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.835 0.35 . . . . 0.0 110.837 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.42 ' HB3' HD21 ' A' ' 81' ' ' LEU . 1.7 m -168.6 143.59 2.77 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.575 0.702 . . . . 0.0 110.924 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.69 33.64 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.451 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -41.58 -45.06 3.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.929 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.461 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.04 -38.44 65.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.871 179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.461 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 37.6 t0 -88.72 21.67 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.91 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.0 mt -115.52 158.75 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.479 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 59.8 mmt-85 -139.21 130.27 26.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.409 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.19 101.13 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.105 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.666 HD23 ' CD2' ' A' ' 89' ' ' LEU . 16.9 tp -39.63 119.48 0.97 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.484 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 14.1 mmm180 -63.63 154.74 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.2 t -59.83 -31.71 69.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -69.04 -25.17 64.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.832 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 24.5 m-85 -87.33 -10.04 53.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.666 ' CD2' HD23 ' A' ' 84' ' ' LEU . 30.4 mt -94.52 -22.86 17.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 t -41.46 -32.74 0.35 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.469 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -87.13 135.18 35.24 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.614 0.721 . . . . 0.0 110.931 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.441 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.0 Cg_endo -69.76 161.21 46.81 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.255 . . . . 0.0 112.293 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.585 ' CD1' HG21 ' A' ' 68' ' ' VAL . 17.3 m-85 -69.46 108.55 3.81 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.469 ' NE2' HD21 ' A' ' 91' ' ' LEU . 61.5 mm-40 -58.41 -49.56 76.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.92 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.606 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.54 97.3 8.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 21.0 mm -79.09 142.12 14.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -67.49 159.54 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 21.3 p -74.86 175.2 8.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.841 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 78.2 p -81.27 163.81 22.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 27.4 tp -112.02 -59.96 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -40.51 136.74 1.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.095 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.416 ' HD2' ' C ' ' A' ' 102' ' ' ARG . 4.5 tmm_? -117.58 150.55 38.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.0 pt -149.24 125.99 2.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.113 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.12 139.58 30.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.088 179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 21.1 t -84.61 126.87 33.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.851 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 97.7 68.12 0.93 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.468 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -37.28 9.35 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.341 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 95.9 p -53.61 166.1 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.856 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 80.7 p -148.93 160.96 42.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.878 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -69.64 -56.16 8.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.92 0.39 . . . . 0.0 110.883 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.4 t -71.86 -57.47 4.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.819 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.35 145.38 29.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.461 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.0 m -116.49 -51.26 2.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.35 . . . . 0.0 110.873 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 55.19 45.05 26.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.814 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.62 -103.25 0.73 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 40.4 ttp85 -68.68 138.0 54.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.823 0.344 . . . . 0.0 110.82 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.5 m -109.25 155.52 21.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 30.7 mt -60.89 -49.92 75.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.897 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.605 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.95 -35.71 59.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.941 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.483 HD11 ' HB3' ' A' ' 69' ' ' ASP . 42.3 tp -72.64 -64.4 0.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -47.92 -31.6 5.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.3 OUTLIER -70.52 -46.13 64.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 5.9 tp -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.877 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.724 HG11 ' CE1' ' A' ' 50' ' ' TYR . 97.4 t -61.51 -46.57 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -58.11 -52.07 67.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -53.74 -46.26 70.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.424 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 60.5 mtp -61.26 -65.96 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 99.9 m -44.04 -69.28 0.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -39.13 -36.8 0.34 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 6.6 t-160 -76.59 -73.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.844 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 25' ' ' ASN . 84.9 m-85 -49.87 -54.75 17.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 23' ' ' TYR . 6.3 pt-20 -33.08 -35.1 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.878 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.495 ' N ' ' O ' ' A' ' 23' ' ' TYR . 24.4 m120 -110.03 50.26 0.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.905 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 51.9 p -140.67 160.47 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.2 m -83.99 151.64 60.87 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.637 0.732 . . . . 0.0 111.138 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.433 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 54.0 Cg_endo -69.74 112.4 3.06 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.665 2.243 . . . . 0.0 112.354 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -86.93 127.8 35.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -89.96 93.32 9.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.666 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.18 156.49 28.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.0 m -94.22 107.81 19.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 37' ' ' ASP . 7.8 p -119.98 152.94 22.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.111 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -137.0 160.43 38.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.692 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -46.06 109.55 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.11 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.91 -25.52 3.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.479 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -83.95 154.47 23.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.749 0.309 . . . . 0.0 110.863 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 31.2 mm -106.58 138.65 31.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.166 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.9 m -157.55 166.45 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -95.6 142.33 28.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.712 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.76 139.91 13.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.637 0.732 . . . . 0.0 111.068 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.8 Cg_endo -69.74 166.64 26.88 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.702 2.268 . . . . 0.0 112.349 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.618 HD23 ' HB2' ' A' ' 46' ' ' ASN . 8.1 tp -116.54 122.78 31.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.577 0.703 . . . . 0.0 110.928 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 -9.62 26.59 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 12.9 p -105.46 -33.17 8.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.618 ' HB2' HD23 ' A' ' 43' ' ' LEU . 4.4 t30 -105.46 -42.62 5.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 92.15 27.9 14.77 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.432 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 31.1 m -134.02 155.36 50.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.383 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.58 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 62.2 m95 -82.86 140.59 32.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.724 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.1 m-85 -140.82 148.93 41.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.967 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.661 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.6 mtm180 -72.52 104.46 3.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.906 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.402 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -117.43 159.29 23.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.139 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 66' ' ' TYR . 2.2 tmm_? -110.65 125.59 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 43.0 t -62.58 131.53 27.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.164 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.692 ' HA ' HG23 ' A' ' 35' ' ' VAL . 36.7 mt -111.9 -15.96 13.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 151.36 -124.6 1.72 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 75.5 m -146.97 147.32 30.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.824 0.345 . . . . 0.0 111.128 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.516 HD12 ' HB2' ' A' ' 62' ' ' ASN . 78.9 mt -89.41 179.63 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.925 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -74.09 -22.11 59.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -82.69 -40.68 20.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.866 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.16 -23.84 2.24 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.462 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.516 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.4 m-20 -63.65 174.82 1.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.909 0.385 . . . . 0.0 110.853 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mt -112.21 124.43 52.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.956 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 32.7 t0 -70.45 101.0 1.87 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.866 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 3.1 mt -93.22 153.6 18.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.428 ' N ' ' O ' ' A' ' 53' ' ' ARG . 9.6 t80 -120.51 105.6 11.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.92 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.56 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -58.35 97.84 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.7 -15.46 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.144 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.483 ' HB3' HD11 ' A' ' 12' ' ' LEU . 74.5 m-20 -86.52 -38.87 16.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.841 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -102.14 -52.24 3.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.88 -31.82 3.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -64.87 -176.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.851 0.357 . . . . 0.0 110.868 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 27.6 m120 -122.44 135.77 54.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.17 158.55 16.86 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -129.25 136.11 49.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 0.0 110.893 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.4 m -165.2 147.92 6.88 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.647 0.737 . . . . 0.0 110.867 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 139.75 40.95 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.66 2.24 . . . . 0.0 112.376 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.666 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.4 tt -44.77 -41.44 6.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.82 -38.64 75.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.83 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.516 ' O ' HD23 ' A' ' 81' ' ' LEU . 42.8 t0 -87.5 24.59 1.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.854 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.712 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.5 mt -117.55 155.34 29.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.514 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 55.7 mmt-85 -136.2 130.93 33.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.39 111.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.096 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.0 tp -46.62 143.72 2.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.1 mmp_? -90.8 164.65 14.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.844 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -64.51 -33.34 75.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.848 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -69.99 -37.62 75.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.887 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 21.0 m-85 -73.44 -10.45 59.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.651 HD21 HD23 ' A' ' 84' ' ' LEU . 21.5 mt -97.72 -18.33 18.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.3 t -47.19 -28.12 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.605 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -91.2 135.74 27.99 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.416 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.9 Cg_endo -69.72 160.21 50.57 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -69.68 105.8 2.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.862 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.485 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 46.7 mm-40 -55.53 -48.74 74.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -98.52 112.27 24.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 11.7 mm -93.91 140.66 16.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -78.93 176.59 9.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 4.9 m -48.08 171.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.3 t -46.84 116.89 1.47 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tt -146.95 136.79 23.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -140.52 132.99 28.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 31.5 mtt180 -123.2 167.58 13.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.912 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -140.25 175.62 6.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.163 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.76 116.44 22.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.122 179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 66.8 p -40.29 -41.45 1.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.882 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -158.09 169.84 34.81 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 97.36 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.632 2.221 . . . . 0.0 112.385 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.5 t -100.6 157.32 16.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.9 t -121.37 -52.97 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.87 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.47 -179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -125.35 -58.55 1.43 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.816 0.341 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.1 m -87.31 139.79 30.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.22 -51.24 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.456 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -101.44 -60.46 1.52 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.861 0.363 . . . . 0.0 110.884 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -77.33 131.52 38.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.39 -86.93 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 20.6 ttp180 -143.19 126.18 16.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.933 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 73.2 m -87.46 129.66 34.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.3 mt -45.34 -46.6 13.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.496 ' HB3' HD11 ' A' ' 91' ' ' LEU . 25.3 mt-30 -51.2 -38.52 52.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 70' ' ' PHE . 56.6 tp -73.28 -66.7 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -45.41 -41.16 8.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.896 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -65.93 -42.84 89.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.52 -38.98 88.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 50' ' ' TYR . 73.6 t -59.43 -47.24 91.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.138 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -61.06 -51.6 68.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -48.64 -50.78 31.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 57.3 mtp -55.98 -65.61 0.57 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 69.2 m -46.12 -71.61 0.07 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.146 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 12.6 mm-40 -33.34 -34.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.874 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.3 t-160 -81.25 -65.12 1.05 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.496 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 83.1 m-85 -58.52 -55.03 40.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.0 pt-20 -33.96 -34.12 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' A' ' 23' ' ' TYR . 29.3 m-20 -111.57 49.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.493 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.2 p -138.95 -176.6 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 m -106.22 152.52 40.49 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 54.6 Cg_endo -69.68 111.92 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.674 2.249 . . . . 0.0 112.413 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -88.15 129.85 35.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.945 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -87.47 93.41 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.857 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -118.67 147.12 44.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.908 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.1 m -84.6 109.72 18.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.138 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.516 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.4 p -119.12 138.28 50.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.135 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' VAL . 17.8 m-70 -125.67 149.1 48.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.878 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.662 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -35.85 117.11 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.14 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.04 -33.45 4.21 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.5 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.405 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.6 m-20 -68.25 157.25 35.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.758 0.313 . . . . 0.0 110.921 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 39.3 mm -108.26 134.61 49.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.123 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -153.82 177.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -106.94 142.37 36.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.725 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 139.39 13.15 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.605 0.717 . . . . 0.0 111.115 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.498 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.4 Cg_endo -69.75 159.16 54.44 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.66 2.24 . . . . 0.0 112.333 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.883 HD23 ' HB2' ' A' ' 46' ' ' ASN . 13.7 tp -110.84 118.0 49.27 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.578 0.704 . . . . 0.0 110.926 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -12.39 32.81 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.692 2.261 . . . . 0.0 112.32 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 75.3 p -97.4 -43.38 7.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.21 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.883 ' HB2' HD23 ' A' ' 43' ' ' LEU . 15.9 t-20 -99.56 -38.41 8.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.502 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.46 49.57 3.41 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 10.2 m -157.56 151.43 24.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 110.851 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.498 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 61.1 m95 -77.71 129.37 35.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.583 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.4 m-85 -132.75 135.18 45.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.901 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.659 ' CD ' HD21 ' A' ' 84' ' ' LEU . 52.4 mtm180 -58.23 116.34 3.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.19 163.12 25.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.124 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -113.51 124.78 53.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.516 HG21 ' CG2' ' A' ' 33' ' ' VAL . 60.5 t -62.76 132.48 28.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.177 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.662 ' HA ' HG23 ' A' ' 35' ' ' VAL . 55.3 mt -109.45 -17.26 13.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.908 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -124.4 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.463 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 21.0 m -144.74 140.93 28.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.824 0.345 . . . . 0.0 111.132 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.2 mt -85.49 -177.95 6.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -76.61 -35.84 57.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.2 p-10 -71.18 -37.01 72.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.848 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 141.28 -29.65 2.28 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.549 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -59.47 172.73 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.915 0.388 . . . . 0.0 110.849 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -111.73 131.86 55.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -76.26 102.34 5.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.2 mt -96.37 150.69 20.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.937 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -120.5 109.4 15.24 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.445 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 29.1 m-85 -58.29 105.92 0.33 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.876 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.788 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 20.7 m -75.33 -34.58 30.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.157 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.74 -46.91 34.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.867 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 12' ' ' LEU . 14.0 m-85 -88.23 -53.47 4.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.855 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 125.19 -42.14 1.57 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.514 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -56.71 177.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.82 0.343 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -116.53 146.87 42.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -136.92 159.93 24.74 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -128.78 139.94 51.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.786 0.327 . . . . 0.0 110.851 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.75 143.68 2.7 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.584 0.707 . . . . 0.0 110.881 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.12 52.91 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.697 2.265 . . . . 0.0 112.326 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.495 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -44.85 -33.51 1.98 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.411 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -65.33 -36.51 84.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 179.803 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.559 ' C ' HD23 ' A' ' 81' ' ' LEU . 27.3 m-20 -87.86 15.67 6.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.898 179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.725 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -112.94 152.9 28.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.926 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.496 ' CB ' ' CD1' ' A' ' 23' ' ' TYR . 65.7 mmt-85 -135.18 135.87 41.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.418 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 103.59 0.48 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.091 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.728 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.7 tp -50.23 123.22 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 67.1 mtt180 -76.11 154.86 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -52.9 -37.44 60.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -55.96 -30.28 61.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.8 m-85 -89.85 -23.59 21.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.728 ' CD2' HD23 ' A' ' 84' ' ' LEU . 76.0 mt -82.96 -22.19 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.2 t -43.04 -30.51 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.819 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.496 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -88.2 135.43 33.13 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.616 0.722 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.428 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.74 164.23 35.3 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.669 2.246 . . . . 0.0 112.348 179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -71.47 112.72 7.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.405 ' NE2' HD21 ' A' ' 91' ' ' LEU . 64.3 mm-40 -63.5 -50.79 68.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.963 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.788 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.5 122.46 37.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.142 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 42.8 mm -105.28 145.04 14.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.122 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 98' ' ' CYS . 3.0 pp20? -114.24 -43.35 3.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.441 ' C ' ' O ' ' A' ' 97' ' ' GLU . 51.0 t -35.08 115.37 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 33.1 m -83.26 -175.72 5.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.872 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.736 ' H ' HD13 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -87.27 29.51 0.85 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -79.42 170.6 16.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -75.39 -29.47 59.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.634 ' O ' HG22 ' A' ' 103' ' ' ILE . 35.3 mm 65.28 47.02 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.123 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.74 132.37 43.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.2 t -170.76 159.73 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 148.41 -168.78 29.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 144.91 55.4 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.705 2.27 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 26.9 t -117.63 -48.34 2.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 53.1 p -173.0 116.53 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.833 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.472 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.9 t -60.64 140.54 57.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.871 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -67.74 -52.26 39.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -126.81 -104.13 1.32 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.471 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.6 m -140.71 114.13 8.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.865 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 71.1 p -99.89 82.34 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.828 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.37 -110.18 0.23 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.3 tpp85 -99.71 99.23 10.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -63.97 157.96 23.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.818 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 14.0 mt -62.97 -61.9 2.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.628 ' HB3' HD11 ' A' ' 91' ' ' LEU . 16.5 mm-40 -56.28 -27.68 56.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.937 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.7 tp -75.22 -61.86 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -43.11 -47.05 6.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -61.55 -38.47 87.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.4 tp -69.1 -32.7 72.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 60.7 t -64.48 -41.33 91.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.128 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -65.31 -52.06 56.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.937 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -48.83 -56.75 7.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 66.0 mtp -52.61 -67.85 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 24' ' ' GLU . 12.7 m -41.76 -70.76 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.0 mt-30 -33.68 -46.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.7 t-160 -70.17 -65.51 0.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.835 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.467 ' O ' ' C ' ' A' ' 24' ' ' GLU . 18.7 m-85 -59.41 -61.48 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 20' ' ' THR . 4.5 pt-20 -32.47 -38.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.87 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 33.4 m120 -114.02 57.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 83.6 p -146.17 -178.51 6.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.838 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -103.72 152.57 38.95 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.595 0.712 . . . . 0.0 111.138 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 115.26 4.01 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.654 2.236 . . . . 0.0 112.344 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -88.63 130.98 35.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.26 93.31 9.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.841 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -120.45 147.34 45.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 98.4 m -85.05 109.35 18.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.153 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.664 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.2 p -117.71 146.35 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.106 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -138.49 149.76 45.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.846 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -38.2 108.93 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.15 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 131.48 -25.91 3.96 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -79.57 158.67 27.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.798 0.333 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.476 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 45.1 mm -109.3 134.8 50.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -154.58 176.79 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.154 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.458 ' HB2' HD13 ' A' ' 84' ' ' LEU . . . -106.09 148.6 27.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.108 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.754 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.08 141.01 13.64 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.088 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.74 169.65 18.39 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.724 2.282 . . . . 0.0 112.331 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.7 tp -117.81 117.8 35.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.628 0.728 . . . . 0.0 110.873 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 2.82 3.21 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.661 2.241 . . . . 0.0 112.349 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 p -99.91 -50.55 3.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.5 p-10 -113.32 -21.3 11.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 82.93 57.71 2.49 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.461 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 9.1 m -147.03 146.76 30.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.817 0.342 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.568 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 70.0 m95 -80.57 133.27 35.75 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.969 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.416 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 96.8 m-85 -138.2 134.64 34.75 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.975 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.577 ' HD2' HD21 ' A' ' 84' ' ' LEU . 51.3 mtm180 -55.39 122.9 12.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -134.26 162.27 32.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.107 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.476 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 34.3 ttm-85 -112.84 123.71 50.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CG2' ' A' ' 33' ' ' VAL . 58.7 t -62.72 129.88 26.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.693 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.5 mt -111.25 -13.34 13.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 147.84 -123.77 1.78 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.463 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 62.5 m -142.08 147.36 36.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.828 0.347 . . . . 0.0 111.164 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.852 HD11 ' HB3' ' A' ' 75' ' ' ASP . 89.3 mt -86.4 -175.34 5.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -82.85 -17.1 45.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -94.04 -27.16 16.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.866 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 137.93 -44.17 1.14 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.476 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.4 m-20 -48.03 170.17 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 0.0 110.907 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.58 129.8 54.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 43.7 t0 -72.78 101.85 3.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.79 151.14 19.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.435 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -117.5 105.63 12.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.416 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -57.28 108.09 0.5 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.883 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.631 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 35.1 m -77.91 -38.41 24.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -65.33 -37.48 87.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -101.03 -56.9 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 127.54 -29.9 4.14 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.456 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -63.5 -177.49 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.782 0.325 . . . . 0.0 110.854 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -120.71 140.21 51.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -123.23 -170.68 13.5 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.517 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.852 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -163.98 134.27 4.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.789 0.328 . . . . 0.0 110.895 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -167.51 151.35 6.19 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.602 0.715 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 143.5 50.86 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.638 2.225 . . . . 0.0 112.336 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.82 -40.85 3.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.883 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.32 -37.96 73.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.913 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' C ' HD23 ' A' ' 81' ' ' LEU . 52.8 m-20 -85.27 16.44 3.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.86 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.754 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -113.68 149.26 34.96 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.448 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 63.9 mmt-85 -131.45 136.01 47.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -64.37 105.03 0.85 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.094 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' HD2' ' A' ' 51' ' ' ARG . 12.5 tp -53.68 121.99 8.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.5 mtp180 -72.91 172.24 11.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.898 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -68.91 -29.79 68.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.43 -40.76 93.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -72.89 -21.57 60.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.521 ' CD2' HD23 ' A' ' 84' ' ' LEU . 20.4 mt -88.16 -10.93 48.36 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.925 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 26.7 t -52.57 -27.94 18.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.628 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.0 tt -91.41 135.25 28.27 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.626 0.726 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.44 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.76 155.76 65.1 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.646 ' O ' HD11 ' A' ' 96' ' ' ILE . 15.2 m-85 -64.86 119.53 10.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' NE2' HD21 ' A' ' 91' ' ' LEU . 87.6 mm-40 -74.19 -29.11 61.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.631 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -134.94 100.63 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.067 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.647 ' N ' HD12 ' A' ' 96' ' ' ILE . 3.1 mp -99.15 153.14 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.431 ' N ' HG22 ' A' ' 96' ' ' ILE . 11.3 mt-10 -49.27 144.17 5.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 99' ' ' SER . 19.7 m -130.18 159.28 37.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.887 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 98' ' ' CYS . 4.4 m -35.56 138.97 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.569 HD23 ' O ' ' A' ' 101' ' ' ALA . 9.4 tt -157.41 123.32 4.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.896 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.569 ' O ' HD23 ' A' ' 100' ' ' LEU . . . -51.7 126.92 19.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 27.7 ptt180 -142.42 138.01 30.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.615 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.6 pp -143.34 174.76 4.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -174.98 176.89 2.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.115 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.5 p -98.35 175.05 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -142.95 -96.26 0.23 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.459 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 80.04 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.693 2.262 . . . . 0.0 112.325 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.3 m 41.1 40.47 1.09 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.87 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 2.6 t -81.43 113.28 19.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -76.0 131.59 39.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -100.44 -52.93 3.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.44 -77.68 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.9 m -153.42 156.88 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.355 . . . . 0.0 110.853 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -116.3 95.84 5.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.863 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.74 -159.44 0.83 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.422 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 3.2 ptp85 -56.02 165.92 0.87 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.818 0.342 . . . . 0.0 110.914 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.8 m -71.51 148.47 46.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.16 -48.66 77.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.961 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -53.58 -30.84 44.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 34.6 tp -74.92 -65.19 0.9 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -44.59 -38.61 4.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.865 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.485 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -65.97 -38.21 87.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.894 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.485 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 16.0 tp -69.59 -35.04 74.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.922 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.562 HG11 ' CE1' ' A' ' 50' ' ' TYR . 94.4 t -64.78 -53.74 38.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.101 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -51.44 -53.62 35.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -50.9 -60.46 3.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 65.3 mtp -48.45 -69.12 0.13 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.493 ' O ' ' N ' ' A' ' 22' ' ' HIS . 86.8 m -41.42 -70.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.107 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 20' ' ' THR . 7.5 mt-30 -33.44 -34.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 20' ' ' THR . 20.1 t-160 -82.47 -62.92 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.842 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.483 ' CD1' ' CB ' ' A' ' 82' ' ' ARG . 97.6 m-85 -56.85 -59.86 4.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 23' ' ' TYR . 4.6 pt-20 -35.41 -32.9 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.911 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' TYR . 30.5 m-20 -110.31 48.71 0.89 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 23' ' ' TYR . 5.7 m -142.54 172.21 13.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.2 m -94.52 152.41 39.98 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.598 0.713 . . . . 0.0 111.101 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 112.06 2.97 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.669 2.246 . . . . 0.0 112.375 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -88.44 137.84 31.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.9 m-20 -96.7 95.86 8.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.51 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.9 pt? -119.58 151.61 38.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 97.9 m -81.86 108.32 15.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' CG2' HG21 ' A' ' 54' ' ' VAL . 7.7 p -122.95 132.36 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -127.57 160.07 32.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.65 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.1 p -43.28 112.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 124.55 -17.16 7.4 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.463 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -86.61 148.4 25.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 0.0 110.839 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.48 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 31.8 mm -102.15 132.81 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.107 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -155.33 172.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -100.74 148.88 24.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.135 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.758 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -153.11 140.66 13.35 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.586 0.708 . . . . 0.0 111.075 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.79 168.22 22.22 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.654 2.236 . . . . 0.0 112.366 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.2 tp -123.87 122.26 26.35 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.573 0.701 . . . . 0.0 110.962 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -14.1 35.59 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.217 . . . . 0.0 112.347 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 31.3 p -95.31 -44.39 7.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.128 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -97.82 -41.88 7.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.31 40.21 5.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.476 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 37.7 m -146.83 154.65 41.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.873 0.368 . . . . 0.0 110.844 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.572 ' CH2' ' O ' ' A' ' 80' ' ' ASP . 65.1 m95 -81.11 136.49 35.93 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.902 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.562 ' CE1' HG11 ' A' ' 16' ' ' VAL . 93.9 m-85 -138.2 139.3 39.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 63.8 mtm180 -62.42 112.31 2.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.46 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -122.37 162.96 20.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.9 ttm180 -113.69 122.29 46.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG21 ' CG2' ' A' ' 33' ' ' VAL . 41.2 t -63.42 132.54 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.65 ' HA ' HG23 ' A' ' 35' ' ' VAL . 15.4 mt -112.51 -13.19 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.941 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.34 -134.74 5.05 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 18.6 m -135.72 145.77 47.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.327 . . . . 0.0 111.161 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.814 HD12 ' HB2' ' A' ' 62' ' ' ASN . 51.6 mt -87.33 -177.04 5.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -76.84 -25.24 52.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -84.61 -38.67 19.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.31 -37.03 1.25 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.814 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.5 m-20 -52.13 166.18 0.18 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mt -108.43 127.61 54.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.3 t0 -69.6 104.76 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.46 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 4.6 mt -97.51 147.4 24.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.476 ' CE2' HG12 ' A' ' 68' ' ' VAL . 4.1 t80 -116.25 105.89 13.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.903 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.462 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.4 m-85 -57.8 95.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.859 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.476 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.9 m -68.69 -21.23 25.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -82.5 -39.66 22.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -97.75 -58.83 1.9 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 135.4 -35.73 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.498 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.7 t0 -66.49 178.3 1.29 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 0.0 110.892 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -117.78 134.39 54.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -118.42 161.71 13.48 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.533 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.408 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.5 p-10 -129.12 134.9 48.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.79 0.329 . . . . 0.0 110.839 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -166.75 144.0 4.09 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 144.36 53.44 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.622 2.215 . . . . 0.0 112.344 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.1 tt -41.78 -43.88 3.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -38.06 67.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.853 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.572 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 37.3 m-20 -83.09 3.85 28.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.758 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -102.67 154.06 19.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.541 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 17.1 mmt-85 -137.19 138.36 40.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.51 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.36 121.56 14.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.621 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.3 tp -72.38 131.43 42.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.945 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.0 mtp85 -78.43 167.1 21.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.5 m -66.08 -32.78 74.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -64.39 -35.41 80.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.889 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 -78.93 -14.75 59.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.621 ' CD2' HD23 ' A' ' 84' ' ' LEU . 66.1 mt -94.04 -20.82 19.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 7.8 t -46.87 -24.28 0.57 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.818 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.422 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.7 tt -92.06 135.46 27.14 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.591 0.71 . . . . 0.0 110.919 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.422 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.6 Cg_endo -69.79 153.05 69.26 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.677 2.252 . . . . 0.0 112.372 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -64.81 106.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -55.27 -50.05 70.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -96.25 107.71 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 35.9 mm -83.76 136.23 23.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -49.64 127.17 15.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.9 t -79.92 152.68 29.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -95.87 95.4 8.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 -179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -146.03 159.02 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.916 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.78 167.54 20.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.125 179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 24.2 ttp180 -150.42 158.91 44.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 34.4 mm -53.39 123.65 4.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.173 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -122.06 167.02 13.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.096 179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 1.7 t -126.84 166.29 17.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -159.91 83.65 0.13 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.492 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -174.07 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.644 2.229 . . . . 0.0 112.352 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 32.8 p -126.27 161.75 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.9 t -96.34 159.34 15.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.845 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.503 -179.952 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -75.88 -51.46 12.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.377 . . . . 0.0 110.887 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.2 t -121.81 92.39 3.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.06 58.97 0.3 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.438 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 m -113.74 122.19 46.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 t -131.02 102.93 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.92 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 -61.4 0.35 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.48 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' A' ' 8' ' ' ARG . 9.9 mmp_? -122.97 150.71 42.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.796 0.331 . . . . 0.0 110.898 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 12' ' ' LEU . 29.3 m -85.27 126.67 33.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.818 -179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 79.6 mt -39.62 -54.57 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.939 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.566 ' HB3' HD11 ' A' ' 91' ' ' LEU . 57.8 mt-30 -51.58 -35.92 43.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' SER . 52.6 tp -81.84 -68.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.868 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -38.87 -33.58 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.467 ' HD3' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -70.29 -51.05 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' N ' ' HD3' ' A' ' 14' ' ' LYS . 7.4 tp -60.16 -47.78 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.915 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 92.2 t -50.01 -45.22 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -63.06 -55.84 22.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -48.22 -46.46 35.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.3 mtp -60.66 -61.9 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.563 HG22 ' HB3' ' A' ' 24' ' ' GLU . 11.5 m -48.55 -71.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.161 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' THR . 4.7 mm-40 -33.41 -41.8 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -72.27 -63.27 1.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.851 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 25' ' ' ASN . 23.1 m-85 -63.83 -58.49 6.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.563 ' HB3' HG22 ' A' ' 20' ' ' THR . 5.5 pt-20 -31.27 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.505 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.6 m-20 -112.24 57.98 0.64 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' TYR . 4.6 m -148.83 177.19 9.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.67 152.34 37.82 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.636 0.732 . . . . 0.0 111.148 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.493 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.8 Cg_endo -69.75 112.28 3.03 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.362 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -87.08 128.95 35.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -90.17 93.23 9.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.774 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.4 pt? -118.12 152.78 34.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 m -86.1 107.95 18.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 p -120.95 133.42 67.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.117 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 90.6 m-70 -121.02 153.61 37.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.835 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.624 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -40.86 113.36 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.126 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.48 -27.5 4.18 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.494 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.93 161.6 28.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.782 0.325 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.447 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 34.3 mm -112.67 131.43 64.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -152.42 170.76 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.147 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.48 147.13 27.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.11 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.815 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -149.95 140.95 14.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.586 0.708 . . . . 0.0 111.085 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.0 Cg_endo -69.78 165.4 31.1 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.686 2.257 . . . . 0.0 112.333 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.526 HD23 ' HB3' ' A' ' 46' ' ' ASN . 11.4 tp -121.05 121.45 28.75 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.566 0.698 . . . . 0.0 110.967 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -18.39 37.03 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.655 2.237 . . . . 0.0 112.387 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 47.3 p -88.92 -45.92 9.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.162 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' HB3' HD23 ' A' ' 43' ' ' LEU . 8.2 t-20 -96.08 -43.73 7.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 95.06 43.19 3.58 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 50.8 m -152.68 158.79 42.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.59 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 61.0 m95 -82.61 143.45 30.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.556 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 99.1 m-85 -144.93 141.42 29.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.521 ' HD2' HD21 ' A' ' 84' ' ' LEU . 42.5 mtm180 -63.61 121.69 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.431 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -134.51 157.76 45.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.1 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.447 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.1 ttm180 -109.32 121.96 46.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.65 128.92 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.129 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.0 mt -109.3 -15.23 14.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.22 -128.03 2.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.492 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 40.6 m -144.91 144.09 30.91 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.793 0.33 . . . . 0.0 111.144 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.414 ' HB2' ' ND2' ' A' ' 60' ' ' ASN . 98.0 mt -86.08 178.47 7.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -71.84 -30.8 65.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' ND2' ' HB2' ' A' ' 58' ' ' LEU . 2.6 p30 -74.23 -42.03 60.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 146.4 -31.46 1.54 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.457 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -58.33 171.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.838 0.352 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -109.57 132.12 54.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 51.8 t0 -75.97 98.93 4.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.431 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 1.7 mt -93.0 150.15 20.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -117.23 105.69 12.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.2 m-85 -58.44 116.41 3.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.503 HG21 ' CD1' ' A' ' 93' ' ' PHE . 21.1 m -85.65 -15.58 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.13 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -88.15 -36.07 17.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -104.35 -42.81 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 116.94 -41.03 2.2 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.502 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.47 -178.1 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -121.77 129.43 52.66 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.863 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.35 156.86 15.33 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.2 137.78 54.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.347 . . . . 0.0 110.89 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.9 m -167.39 150.47 5.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.669 0.747 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.466 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 53.8 Cg_endo -69.72 143.61 51.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.721 2.281 . . . . 0.0 112.336 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.774 HD21 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -51.32 -42.58 61.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.975 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -57.55 -33.69 68.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.911 179.811 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.466 ' CB ' ' HG2' ' A' ' 77' ' ' PRO . 50.4 t0 -91.04 24.95 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.815 HD22 ' HB2' ' A' ' 41' ' ' ALA . 5.9 mt -116.76 150.92 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.889 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.59 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 39.4 mmt-85 -130.49 128.12 40.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.14 108.51 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.152 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.669 HD11 ' HB3' ' A' ' 88' ' ' PHE . 17.5 tp -48.17 113.16 0.68 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.449 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 20.1 mmt-85 -56.74 160.3 3.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -62.09 -35.54 78.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -65.42 -40.59 93.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.669 ' HB3' HD11 ' A' ' 84' ' ' LEU . 20.8 m-85 -67.1 -16.29 64.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.854 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 84' ' ' LEU . 30.8 mt -93.51 -11.27 32.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 32.4 t -55.07 -30.04 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.7 tt -91.8 135.32 27.66 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.565 0.698 . . . . 0.0 110.913 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.435 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.8 154.6 67.4 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.32 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.503 ' CD1' HG21 ' A' ' 68' ' ' VAL . 14.5 m-85 -61.55 112.48 2.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.508 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 38.1 mm-40 -61.82 -47.55 84.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.92 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -95.82 100.48 12.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.089 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 32.4 mm -92.38 143.22 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.109 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.5 pm0 -69.77 172.76 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 59.8 m -43.82 160.01 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.8 p -64.32 168.74 5.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 ' O ' HD23 ' A' ' 100' ' ' LEU . 1.3 tt 67.83 51.58 0.78 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.04 40.46 3.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.1 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 17.9 mtm180 -94.18 120.02 33.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 36.2 mt -119.57 122.3 68.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.151 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.42 129.5 34.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 57.3 p -129.76 167.63 17.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.7 145.93 10.73 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 -42.27 3.47 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.668 2.245 . . . . 0.0 112.319 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 37.5 p 44.23 40.37 3.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 77.3 p -147.48 166.18 28.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.818 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.489 -0.245 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.9 m -80.14 -60.63 2.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.856 0.36 . . . . 0.0 110.88 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.4 p -127.22 126.74 43.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.26 69.78 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -110.77 96.05 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.847 0.356 . . . . 0.0 110.864 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -78.34 113.47 16.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.57 -178.33 48.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.456 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 19.6 ptt-85 -157.63 -178.8 7.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.812 0.339 . . . . 0.0 110.866 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -113.0 155.4 24.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.2 mt -62.43 -52.02 65.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.942 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HB3' HD11 ' A' ' 91' ' ' LEU . 69.2 mt-30 -60.97 -33.83 73.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.872 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 23.5 tp -72.24 -58.17 3.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.875 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -50.25 -39.34 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.488 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -65.38 -39.86 92.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.9 tp -67.55 -33.02 74.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.926 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.512 HG11 ' CE1' ' A' ' 50' ' ' TYR . 98.9 t -64.02 -42.48 95.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -62.72 -54.28 41.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.899 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -48.77 -47.9 41.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 64.8 mtp -60.83 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 24' ' ' GLU . 9.9 m -41.9 -67.3 0.27 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.14 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -39.59 -47.06 1.88 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -66.28 -65.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.488 ' O ' ' C ' ' A' ' 24' ' ' GLU . 20.5 m-85 -59.88 -62.71 1.67 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.489 ' N ' ' O ' ' A' ' 20' ' ' THR . 8.2 pt-20 -31.13 -39.99 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.463 ' N ' ' O ' ' A' ' 23' ' ' TYR . 31.6 m120 -109.9 53.21 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.476 ' N ' ' O ' ' A' ' 23' ' ' TYR . 76.4 p -143.4 176.76 8.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.34 152.43 37.79 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.638 0.732 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 112.96 3.21 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.386 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -87.15 130.07 34.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -88.42 93.25 9.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.861 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -120.99 149.34 42.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.964 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 85.9 m -87.97 109.1 19.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.521 ' CG2' HG21 ' A' ' 54' ' ' VAL . 13.0 p -117.36 135.91 56.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.131 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 m-70 -118.62 155.33 31.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.767 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.2 p -46.19 111.29 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.47 -20.45 5.23 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.549 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.48 156.68 25.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.76 0.314 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 26.3 mm -108.22 133.96 51.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.7 m -153.77 179.8 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -108.76 147.13 32.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.849 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -154.05 138.24 11.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.611 0.719 . . . . 0.0 111.083 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.519 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.3 Cg_endo -69.84 171.67 14.12 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.632 2.221 . . . . 0.0 112.336 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.495 ' O ' ' N ' ' A' ' 47' ' ' GLY . 11.5 tp -122.55 121.88 27.46 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -5.5 16.35 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.7 p -107.11 -31.19 8.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -112.94 -41.37 3.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 89.51 34.77 8.31 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.445 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 43.6 m -137.08 139.21 41.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.844 0.354 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.581 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 62.3 m95 -71.22 134.26 46.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.512 ' CE1' HG11 ' A' ' 16' ' ' VAL . 72.9 m-85 -137.85 133.03 33.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.707 ' HD2' HD21 ' A' ' 84' ' ' LEU . 48.8 mtm180 -57.32 119.6 6.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.58 165.16 23.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.052 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.433 ' CZ ' ' CD2' ' A' ' 66' ' ' TYR . 19.8 ttp180 -113.02 127.73 56.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.908 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.539 HG12 ' HA ' ' A' ' 35' ' ' VAL . 98.9 t -68.27 131.4 33.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.124 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.767 ' HA ' HG23 ' A' ' 35' ' ' VAL . 11.8 mt -113.91 -17.43 12.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.938 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.38 -130.34 2.95 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.468 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.458 HG22 ' N ' ' A' ' 58' ' ' LEU . 21.8 m -139.75 158.65 43.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 111.148 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.788 HD12 ' HB2' ' A' ' 62' ' ' ASN . 8.8 mt -103.59 170.6 7.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -68.29 -18.53 64.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -39.7 17.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.53 -29.39 2.14 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.788 ' HB2' HD12 ' A' ' 58' ' ' LEU . 72.4 m-20 -64.49 170.12 4.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.806 0.336 . . . . 0.0 110.939 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mt -108.29 129.08 55.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.923 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.22 110.89 4.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.893 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.1 mt -102.89 151.09 22.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' CD2' ' CZ ' ' A' ' 53' ' ' ARG . 5.2 t80 -120.3 105.49 10.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -58.26 107.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.879 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.626 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 24.6 m -81.26 -14.63 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.096 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -90.22 -34.3 15.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -104.77 -46.45 4.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.898 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 122.11 -43.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 9.9 p-10 -58.76 178.14 0.12 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.83 0.348 . . . . 0.0 110.89 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -116.48 149.76 38.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -131.75 172.91 20.77 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.447 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.683 ' HB2' HD11 ' A' ' 58' ' ' LEU . 1.3 p-10 -142.16 135.15 28.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.782 0.325 . . . . 0.0 110.889 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.62 150.41 4.75 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.632 0.729 . . . . 0.0 110.867 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 148.1 64.13 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.736 2.291 . . . . 0.0 112.339 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.5 tt -50.19 -42.12 50.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -56.15 -31.28 63.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.489 ' C ' HD23 ' A' ' 81' ' ' LEU . 43.0 m-20 -91.26 19.77 5.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.843 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.849 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -115.47 148.7 39.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.581 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 64.7 mmt-85 -131.22 130.48 42.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.61 106.57 0.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.137 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.707 HD21 ' HD2' ' A' ' 51' ' ' ARG . 13.2 tp -51.34 119.49 4.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.935 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 66.9 mtp180 -73.85 158.82 33.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.1 t -55.65 -32.55 63.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.843 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -64.18 -27.31 68.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.544 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.1 m-85 -90.96 -18.39 24.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.7 ' CD2' HD23 ' A' ' 84' ' ' LEU . 69.4 mt -91.45 -17.16 26.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -49.26 -26.46 3.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.812 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.459 HD11 ' HB3' ' A' ' 11' ' ' GLN . 1.6 tt -93.06 135.52 25.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.64 0.734 . . . . 0.0 110.938 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.404 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.73 152.35 69.44 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.672 2.248 . . . . 0.0 112.35 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 6.8 m-30 -62.63 113.02 2.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' NE2' HD21 ' A' ' 91' ' ' LEU . 86.6 mm-40 -64.97 -47.15 78.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.626 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.11 106.4 18.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.1 mm -94.4 145.2 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.12 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -39.53 154.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.44 ' O ' ' C ' ' A' ' 99' ' ' SER . 83.0 m -46.54 159.82 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 98' ' ' CYS . 39.8 t -34.85 128.25 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.854 -179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 ' O ' ' C ' ' A' ' 101' ' ' ALA . 3.2 tp -166.3 162.93 17.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 100' ' ' LEU . . . -35.46 126.68 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.117 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.43 ' N ' ' HD3' ' A' ' 102' ' ' ARG . 0.9 OUTLIER -111.42 160.19 17.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.8 pt -135.6 168.76 22.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.52 100.04 12.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.2 m -99.74 145.05 28.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -41.97 151.71 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.454 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 108' ' ' SER . 53.8 Cg_endo -69.81 1.08 4.79 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.325 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 107' ' ' PRO . 71.0 m -34.47 104.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 -179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 45.6 t -137.05 106.78 6.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.51 -179.966 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.5 m -114.81 -53.27 2.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.879 0.371 . . . . 0.0 110.845 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.8 m -131.37 115.87 16.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.845 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.59 94.13 2.26 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.474 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 m -141.38 142.41 33.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.865 0.365 . . . . 0.0 110.846 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -124.64 159.48 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.859 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.13 147.04 7.26 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 18.9 ttp180 -147.55 131.93 17.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 0.0 110.852 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.2 m -75.18 151.17 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.0 mt -66.32 -50.39 63.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.4 ' HB3' HD11 ' A' ' 91' ' ' LEU . 64.0 mt-30 -50.47 -40.37 50.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.421 ' O ' ' N ' ' A' ' 15' ' ' LEU . 37.2 tp -72.88 -69.28 0.42 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -40.17 -43.36 1.64 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.848 179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.15 -39.89 94.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.919 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 12' ' ' LEU . 8.5 tp -68.9 -42.21 77.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.751 HG11 ' CE1' ' A' ' 50' ' ' TYR . 99.2 t -58.48 -47.41 88.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.111 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -62.43 -57.82 9.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.833 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -43.24 -47.73 6.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 30.1 mtp -63.99 -48.29 77.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.557 HG23 ' CG ' ' A' ' 24' ' ' GLU . 53.3 m -56.01 -75.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 -43.1 -23.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.641 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 1.6 t-160 -79.2 -74.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.845 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.641 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 76.7 m-85 -59.26 -45.72 90.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.558 ' OE2' ' CD1' ' A' ' 49' ' ' TRP . 28.9 mm-40 -34.11 -45.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.9 OUTLIER -101.27 53.37 0.83 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.9 m -150.65 163.95 37.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.816 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.5 m -82.78 152.37 66.06 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.631 0.729 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.9 Cg_endo -69.73 121.8 8.49 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.683 2.255 . . . . 0.0 112.327 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -88.58 120.47 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.891 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -86.58 93.46 9.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.721 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -119.43 147.55 44.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 86.7 m -82.0 108.63 15.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.098 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 54' ' ' VAL . 11.9 p -115.22 147.39 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.11 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.4 m-70 -130.94 146.06 52.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.713 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -39.92 114.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.107 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.39 -23.85 4.78 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.42 160.95 22.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.799 0.333 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.6 mm -111.86 130.31 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.0 m -148.29 178.06 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.187 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.23 148.69 28.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.851 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -155.74 142.4 13.37 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.616 0.722 . . . . 0.0 111.058 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.563 ' HD3' ' CH2' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.77 174.45 9.49 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.727 2.285 . . . . 0.0 112.309 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.54 HD13 ' CZ ' ' A' ' 67' ' ' PHE . 8.3 tp -125.41 122.02 24.97 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.641 0.734 . . . . 0.0 110.932 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -9.27 25.7 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.686 2.257 . . . . 0.0 112.324 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.0 p -101.07 -38.93 7.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 10.2 t30 -105.3 -40.42 5.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.37 37.56 6.18 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.504 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 5.6 m -139.63 156.75 46.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.888 0.375 . . . . 0.0 110.863 -179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.563 ' CH2' ' HD3' ' A' ' 42' ' ' PRO . 66.2 m95 -85.78 131.29 34.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.906 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.751 ' CE1' HG11 ' A' ' 16' ' ' VAL . 97.7 m-85 -134.15 148.35 50.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.734 ' CD ' HD21 ' A' ' 84' ' ' LEU . 36.3 mtm180 -67.47 118.91 11.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -131.94 158.03 42.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.097 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 25.3 ttm-85 -110.37 127.22 54.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.511 HG21 HG21 ' A' ' 33' ' ' VAL . 47.8 t -66.79 128.75 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.118 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.713 ' HA ' HG23 ' A' ' 35' ' ' VAL . 21.1 mt -110.14 -11.71 14.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 146.9 -129.02 3.15 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.492 HG23 ' O ' ' A' ' 61' ' ' GLY . 79.5 m -141.66 150.9 42.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.841 0.353 . . . . 0.0 111.132 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD12 ' HB2' ' A' ' 62' ' ' ASN . 85.9 mt -89.85 -175.07 4.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -81.04 -12.14 59.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 60' ' ' ASN . 0.8 OUTLIER -99.36 -27.44 13.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.492 ' O ' HG23 ' A' ' 57' ' ' THR . . . 136.66 -43.17 1.25 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.418 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.7 m-20 -46.73 165.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 110.914 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.6 mt -107.43 129.07 54.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.958 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 42.0 t0 -71.49 102.52 2.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.845 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.465 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 3.6 mt -95.21 148.41 22.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.532 ' CE2' HG12 ' A' ' 68' ' ' VAL . 1.7 t80 -116.94 106.57 13.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.54 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.5 m-30 -58.26 99.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.532 HG12 ' CE2' ' A' ' 66' ' ' TYR . 25.8 m -76.83 -15.33 14.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.099 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -87.99 -37.76 16.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.61 -53.15 2.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 132.69 -45.21 1.14 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -54.54 -175.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -126.5 138.0 53.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.56 162.99 15.12 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.518 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -132.5 135.55 46.08 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.868 0.366 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -167.78 151.13 5.82 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 110.874 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 145.07 55.78 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.321 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.721 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -49.34 -34.75 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -60.08 -35.69 75.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.48 ' O ' ' CH2' ' A' ' 49' ' ' TRP . 15.8 m-20 -90.42 21.0 4.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.837 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.851 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -113.7 147.27 38.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.494 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 28.3 mmt-85 -132.36 128.4 37.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.876 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -57.99 103.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.809 HD23 ' CD2' ' A' ' 89' ' ' LEU . 12.8 tp -41.32 115.11 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.918 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 3.8 tpt180 -52.78 157.28 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.35 -39.53 87.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -66.91 -32.22 73.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.855 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -75.35 -15.35 60.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.809 ' CD2' HD23 ' A' ' 84' ' ' LEU . 18.8 mt -93.5 -22.4 18.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.884 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 19.1 t -43.5 -27.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.456 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.7 tt -90.2 134.94 30.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.447 ' O ' HD23 ' A' ' 91' ' ' LEU . 54.3 Cg_endo -69.7 167.13 25.24 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.746 2.297 . . . . 0.0 112.329 179.811 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -71.63 113.6 8.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.456 ' NE2' HD21 ' A' ' 91' ' ' LEU . 49.1 mm-40 -63.58 -49.78 72.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -99.23 113.22 25.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.069 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 20.4 mm -90.01 140.03 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 tt0 -61.9 161.55 10.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 3.6 t 68.74 40.6 1.75 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 40.7 m -71.77 169.73 15.07 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.882 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 tt -45.51 124.49 4.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -160.58 168.03 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 -151.53 135.85 16.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.624 ' C ' HD12 ' A' ' 103' ' ' ILE . 2.6 pp -135.58 162.15 37.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -120.02 144.78 47.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.149 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.1 m -110.5 153.11 25.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -110.89 -157.93 15.32 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.517 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 178.32 4.7 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.672 2.248 . . . . 0.0 112.34 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.7 t -134.74 144.66 47.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 10.3 t -81.23 122.59 27.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.458 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -62.22 131.14 48.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.2 p 38.72 41.81 0.54 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.889 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 88.77 -153.43 23.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -159.83 128.38 4.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.2 t -115.46 137.78 51.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.01 -94.14 1.09 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 10.8 ttp180 -109.34 140.79 42.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.829 0.347 . . . . 0.0 110.857 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 69.0 m -103.93 152.96 21.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.815 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.7 -49.05 78.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -53.49 -34.3 57.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 15' ' ' LEU . 24.0 tp -74.62 -67.35 0.64 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -40.36 -44.01 1.87 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.483 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -63.82 -37.02 85.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.483 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 12.6 tp -71.09 -36.38 72.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.895 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG11 ' CE2' ' A' ' 50' ' ' TYR . 90.0 t -62.55 -43.94 98.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.154 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.3 -48.45 78.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.846 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -54.0 -50.22 67.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.4 mtp -58.81 -63.91 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.849 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.412 ' O ' ' N ' ' A' ' 24' ' ' GLU . 14.2 m -42.5 -71.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.183 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.411 ' C ' ' O ' ' A' ' 20' ' ' THR . 6.1 mm-40 -36.65 -40.4 0.26 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.904 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -72.96 -68.46 0.48 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' O ' ' C ' ' A' ' 24' ' ' GLU . 84.7 m-85 -56.71 -58.41 8.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.46 ' C ' ' O ' ' A' ' 23' ' ' TYR . 5.2 pt-20 -33.77 -36.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.899 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 23' ' ' TYR . 87.0 m-20 -108.98 55.86 0.63 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.916 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 5.0 m -146.32 177.06 9.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 m -100.43 152.47 37.84 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 111.97 2.95 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.715 2.277 . . . . 0.0 112.324 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.7 mm-40 -87.56 129.93 34.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.921 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -87.97 94.78 9.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.711 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -120.32 149.24 42.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.918 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 58.1 m -87.83 109.3 19.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.472 ' CG2' HG21 ' A' ' 54' ' ' VAL . 11.6 p -118.52 143.23 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.142 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -128.65 152.58 48.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.626 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.62 108.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 133.7 -23.85 3.73 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.463 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.427 ' CB ' HG23 ' A' ' 33' ' ' VAL . 1.0 OUTLIER -82.26 156.89 24.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 0.0 110.881 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 25.2 mm -107.2 137.13 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.088 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -156.55 164.73 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.137 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -94.59 145.88 24.52 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.058 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.644 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.44 141.24 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.572 0.701 . . . . 0.0 111.14 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.579 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 164.89 32.85 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.831 HD23 ' HB2' ' A' ' 46' ' ' ASN . 11.5 tp -119.47 120.37 30.86 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.598 0.713 . . . . 0.0 110.917 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -16.17 37.37 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.731 2.288 . . . . 0.0 112.314 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 68.4 p -94.8 -47.75 6.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.106 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.831 ' HB2' HD23 ' A' ' 43' ' ' LEU . 8.6 t30 -91.01 -40.92 11.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.18 44.74 4.31 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 3.6 m -153.87 162.33 41.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.831 0.348 . . . . 0.0 110.88 -179.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.579 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.9 m95 -85.88 139.35 31.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.477 ' CE2' HG11 ' A' ' 16' ' ' VAL . 97.6 m-85 -138.99 147.78 42.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.524 ' HD2' HD21 ' A' ' 84' ' ' LEU . 53.9 mtm180 -70.41 109.34 4.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB1' ' CB ' ' A' ' 65' ' ' LEU . . . -120.86 156.73 31.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.076 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.3 ttm-85 -108.3 127.29 53.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.472 HG21 ' CG2' ' A' ' 33' ' ' VAL . 50.0 t -66.48 135.51 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.168 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.626 ' HA ' HG23 ' A' ' 35' ' ' VAL . 12.2 mt -116.93 -14.96 10.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.939 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 152.8 -138.54 6.42 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.488 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 25.5 m -129.35 149.96 50.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.75 HD12 ' HB2' ' A' ' 62' ' ' ASN . 94.8 mt -94.72 167.16 11.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 -64.85 -32.51 74.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 10.4 p30 -77.6 -36.57 51.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.06 -36.86 1.56 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.75 ' HB2' HD12 ' A' ' 58' ' ' LEU . 4.4 m-20 -52.92 169.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.913 0.387 . . . . 0.0 110.851 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.4 mt -109.1 130.09 55.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.908 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.605 ' OD2' HD12 ' A' ' 55' ' ' LEU . 37.3 t0 -72.14 105.96 4.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CB ' ' HB1' ' A' ' 52' ' ' ALA . 2.3 mt -99.93 152.24 20.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 53' ' ' ARG . 2.4 t80 -120.74 106.5 11.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.513 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.1 m-85 -57.05 99.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.413 HG12 ' CE2' ' A' ' 66' ' ' TYR . 34.5 m -74.6 -11.36 14.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -93.96 -31.42 14.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -106.98 -54.15 2.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 128.88 -36.58 2.39 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.48 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -58.72 -175.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.8 0.334 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -125.12 137.57 54.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.5 176.7 16.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.719 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.1 OUTLIER -154.29 129.68 9.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.3 m -162.89 152.85 13.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' O ' ' N ' ' A' ' 80' ' ' ASP . 53.7 Cg_endo -69.73 141.8 46.32 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.668 2.245 . . . . 0.0 112.358 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.711 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -41.22 -44.07 2.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.953 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.438 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -54.16 -38.98 66.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.863 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.487 ' C ' HD23 ' A' ' 81' ' ' LEU . 30.1 m-20 -82.89 10.27 8.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.878 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.644 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.13 154.82 22.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.943 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.557 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 23.4 mmt-85 -138.07 130.69 29.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.907 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.491 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -59.1 101.87 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.676 HD23 HD21 ' A' ' 89' ' ' LEU . 15.3 tp -36.78 146.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -88.01 146.24 25.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.2 m -51.44 -35.67 40.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.1 -39.81 86.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.894 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -73.38 -4.57 34.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.676 HD21 HD23 ' A' ' 84' ' ' LEU . 26.4 mt -99.23 -17.56 18.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 23.1 t -53.99 -23.81 14.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 92' ' ' PRO . 1.6 tt -91.5 135.56 27.79 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.634 0.731 . . . . 0.0 110.927 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.42 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.78 157.62 59.72 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -66.85 108.47 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 54.6 mm-40 -58.25 -52.02 67.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -90.59 108.25 19.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.129 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.6 mm -102.52 145.77 11.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.147 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 98' ' ' CYS . 5.1 tt0 -154.94 154.56 32.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.422 ' C ' ' O ' ' A' ' 97' ' ' GLU . 26.3 p -35.5 133.75 0.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.9 m -164.29 128.13 2.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 -179.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 72.0 mt -47.6 157.61 0.23 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -91.46 129.06 37.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.038 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -57.96 124.45 19.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.842 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 12.3 mm -106.77 95.08 3.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -173.97 141.71 0.81 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 106' ' ' GLY . 3.1 t -57.07 93.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 105' ' ' SER . . . 33.85 -96.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.552 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 105' ' ' SER . 53.2 Cg_endo -69.8 132.2 22.76 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.371 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 35.8 p -125.14 -49.32 1.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.886 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 3.5 m -81.65 111.39 17.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.8 p -63.98 172.16 2.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.885 0.374 . . . . 0.0 110.845 -179.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -70.92 112.36 7.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.84 -171.42 44.4 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.502 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.2 t -169.69 154.65 5.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.837 0.351 . . . . 0.0 110.888 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 m -161.0 114.71 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -72.24 91.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.509 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 35.8 ttp85 -160.82 136.58 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.0 m -111.6 155.94 22.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 16.3 mt -62.58 -50.62 70.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.911 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.417 ' HB3' HD11 ' A' ' 91' ' ' LEU . 31.0 mt-30 -52.04 -36.98 52.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.975 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 26.8 tp -74.38 -64.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -44.41 -35.34 2.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.842 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.482 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.97 -37.44 75.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.945 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.482 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.5 tp -71.59 -36.72 70.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.458 HG11 ' CE2' ' A' ' 50' ' ' TYR . 98.4 t -63.87 -40.9 90.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.133 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -63.21 -52.49 62.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.885 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -51.71 -53.61 37.34 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 62.0 mtp -53.27 -66.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.502 ' O ' ' N ' ' A' ' 22' ' ' HIS . 88.7 m -46.98 -71.16 0.08 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.14 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.2 mm100 -34.4 -32.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.942 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.502 ' N ' ' O ' ' A' ' 20' ' ' THR . 15.1 t-160 -83.17 -67.89 0.75 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.459 ' O ' ' C ' ' A' ' 24' ' ' GLU . 52.7 m-85 -59.63 -53.09 62.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 12.0 pt-20 -32.69 -40.4 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.867 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 24' ' ' GLU . 81.2 m-20 -112.85 57.72 0.66 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.912 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 60.5 p -144.02 175.59 9.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -95.39 152.65 39.45 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.6 0.714 . . . . 0.0 111.164 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.455 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.7 Cg_endo -69.77 110.52 2.58 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.706 2.271 . . . . 0.0 112.345 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -86.73 136.82 32.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -99.87 104.67 16.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' A' ' 83' ' ' ALA . 1.8 pt? -128.58 152.38 48.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 99.5 m -83.25 107.7 15.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.143 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.695 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.0 p -117.28 132.19 67.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.079 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -119.61 151.08 39.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.627 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.1 p -42.82 107.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.156 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.62 -25.47 3.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.452 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -79.61 158.71 27.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.766 0.317 . . . . 0.0 110.874 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 44.9 mm -112.06 129.63 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.109 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.4 m -144.3 177.72 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.33 140.15 40.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.091 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.649 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -144.32 141.57 18.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.605 0.717 . . . . 0.0 111.106 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.584 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.75 166.2 28.4 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.702 2.268 . . . . 0.0 112.343 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.642 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.0 tp -121.6 120.8 28.6 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.575 0.703 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -18.05 37.22 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 25.3 p -90.26 -45.15 9.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.642 ' HB2' HD23 ' A' ' 43' ' ' LEU . 21.1 t-20 -96.25 -42.67 8.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.893 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 93.6 43.09 4.03 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.477 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 26.7 m -152.71 157.28 40.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.863 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.584 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -81.67 138.79 35.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.927 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.458 ' CE2' HG11 ' A' ' 16' ' ' VAL . 96.4 m-85 -141.22 138.08 33.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.925 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.698 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.6 mtm180 -61.28 133.49 55.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.835 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -140.43 -175.58 4.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.42 117.79 20.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.695 HG21 ' CG2' ' A' ' 33' ' ' VAL . 45.8 t -62.5 125.0 18.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.128 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.627 ' HA ' HG23 ' A' ' 35' ' ' VAL . 18.0 mt -106.93 -15.96 14.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.958 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 150.01 -129.68 3.05 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.3 m -136.15 148.85 48.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.809 0.338 . . . . 0.0 111.15 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.695 HD11 ' HB3' ' A' ' 75' ' ' ASP . 95.2 mt -90.89 -176.9 4.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -77.9 -31.03 50.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -76.51 -40.9 48.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.869 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 147.83 -33.53 1.27 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.552 ' HB2' HD12 ' A' ' 58' ' ' LEU . 3.1 m-20 -58.74 168.03 1.35 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.88 0.371 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.12 132.03 50.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -71.1 104.02 2.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -99.08 137.52 37.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 11.9 t80 -110.99 108.05 17.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 3.4 m-30 -58.08 112.97 1.7 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.48 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 23.9 m -84.75 -20.43 8.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.147 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.8 m-20 -83.69 -39.61 19.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.23 -52.96 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.47 -30.53 4.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.484 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -57.49 -176.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.854 0.359 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -125.81 133.86 51.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -121.75 -178.82 15.86 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.695 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.4 OUTLIER -158.97 134.93 8.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.783 0.325 . . . . 0.0 110.908 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -166.85 155.73 9.55 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 143.21 49.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.336 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD11 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -50.46 -38.84 45.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.945 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.455 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -58.87 -31.54 68.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.849 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -92.85 17.49 10.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.649 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.1 mt -111.94 154.37 25.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 50.0 mmt-85 -133.24 133.92 43.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.618 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -63.08 110.42 1.82 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.107 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.698 HD21 ' HD2' ' A' ' 51' ' ' ARG . 14.7 tp -57.1 121.79 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.974 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -72.61 161.53 30.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 3.3 m -58.07 -37.22 74.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.843 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -58.88 -41.44 87.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.837 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.476 ' HB3' HD11 ' A' ' 84' ' ' LEU . 21.6 m-85 -73.06 -18.24 61.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.693 ' CD2' HD23 ' A' ' 84' ' ' LEU . 79.3 mt -91.73 -19.39 22.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.1 t -46.09 -23.39 0.31 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.827 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.493 HD21 ' NE2' ' A' ' 94' ' ' GLN . 2.3 tt -93.8 135.37 25.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.451 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.79 151.98 69.04 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.687 2.258 . . . . 0.0 112.306 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -59.72 114.12 2.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 91' ' ' LEU . 54.5 mm-40 -64.22 -47.4 79.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.48 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -97.06 123.1 40.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 34.9 mm -115.77 138.4 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -87.31 -178.26 6.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 36.6 t -39.43 146.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 75.5 m -80.5 144.33 32.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.545 HD12 ' HG2' ' A' ' 102' ' ' ARG . 0.7 OUTLIER -93.34 107.23 19.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.33 91.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.112 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.545 ' HG2' HD12 ' A' ' 100' ' ' LEU . 8.5 ptm180 -166.33 140.23 4.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 13.2 mm -87.63 105.87 15.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.66 127.04 29.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.067 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 82.8 p -65.29 154.63 37.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -93.36 168.83 29.89 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 155.18 66.61 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.721 2.281 . . . . 0.0 112.331 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 65.0 m -120.5 -47.12 2.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 99.0 p -91.29 176.63 6.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.9 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.1 p -98.62 -34.62 10.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.858 0.361 . . . . 0.0 110.857 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.9 p -100.75 84.36 2.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.92 47.86 0.22 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.5 t -73.4 149.33 42.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -100.56 88.1 3.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.857 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.8 -93.9 2.23 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.477 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -48.86 128.12 15.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.881 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.3 m -107.58 157.76 17.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.838 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 mt -61.02 -49.51 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.977 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -51.83 -41.0 61.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' A' ' 70' ' ' PHE . 34.0 tp -73.62 -68.14 0.53 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -39.11 -35.59 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.53 -45.05 80.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 12' ' ' LEU . 6.9 tp -66.36 -31.73 72.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.3 t -66.54 -42.94 90.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.09 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 -61.32 -48.93 79.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.94 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -56.98 -53.26 60.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.401 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 63.0 mtp -57.38 -54.9 41.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.827 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.515 HG23 ' CG ' ' A' ' 24' ' ' GLU . 91.8 m -55.51 -74.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -43.4 -23.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.598 ' CE1' ' CE1' ' A' ' 23' ' ' TYR . 4.9 t-80 -80.87 -74.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.831 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.598 ' CE1' ' CE1' ' A' ' 22' ' ' HIS . 52.4 m-85 -58.2 -46.74 85.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' CG ' HG23 ' A' ' 20' ' ' THR . 27.3 mm-40 -34.0 -36.87 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.628 HD22 ' N ' ' A' ' 25' ' ' ASN . 0.8 OUTLIER -111.9 50.84 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.894 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.7 m -142.24 164.96 28.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 m -88.43 152.19 49.43 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.611 0.719 . . . . 0.0 111.106 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.449 ' CB ' ' O ' ' A' ' 79' ' ' LYS . 53.6 Cg_endo -69.77 114.01 3.57 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -87.43 128.77 35.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -90.61 93.28 9.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.5 pt? -118.05 156.37 28.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.89 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 57.8 m -87.49 107.96 18.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.16 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.9 p -116.21 133.71 61.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.8 m-70 -120.34 154.06 35.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.843 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.722 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.4 p -44.05 113.98 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.14 -16.49 8.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.524 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -79.56 150.8 30.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.795 0.331 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.401 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 17.5 mm -103.42 120.95 54.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.7 m -143.85 175.38 3.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.064 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -107.81 142.44 37.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.055 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.835 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -148.89 142.38 16.06 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.615 0.721 . . . . 0.0 111.08 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.5 Cg_endo -69.78 161.51 45.64 Favored 'Trans proline' 0 C--O 1.233 0.242 0 C-N-CA 122.638 2.225 . . . . 0.0 112.351 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.528 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.4 tp -111.81 122.34 37.38 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 110.898 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.505 ' HD2' HD12 ' A' ' 43' ' ' LEU . 53.7 Cg_endo -69.79 -13.53 34.73 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.352 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 71.7 p -91.81 -51.57 5.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.163 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.528 ' HB2' HD23 ' A' ' 43' ' ' LEU . 34.5 m-20 -93.76 -42.3 9.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 96.44 41.89 3.56 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.489 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 12.0 m -143.58 160.14 41.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.893 0.378 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.531 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 65.6 m95 -85.95 138.93 31.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.913 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -142.79 157.75 44.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.903 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.574 ' HD2' HD21 ' A' ' 84' ' ' LEU . 47.2 mtm180 -79.05 124.79 28.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.854 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 67' ' ' PHE . . . -138.01 163.35 31.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.06 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.401 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 10.7 ttt180 -113.22 120.29 40.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 38.9 t -62.58 133.42 28.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.722 ' HA ' HG23 ' A' ' 35' ' ' VAL . 17.2 mt -109.44 -16.27 14.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 155.38 -118.71 0.87 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.499 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 58' ' ' LEU . 25.7 m -145.35 156.08 43.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.836 0.35 . . . . 0.0 111.073 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.943 HD12 ' HB2' ' A' ' 62' ' ' ASN . 73.7 mt -102.11 166.0 10.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.889 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -64.28 -30.86 71.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -79.69 -26.84 40.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 131.33 -35.42 2.43 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.459 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.943 ' HB2' HD12 ' A' ' 58' ' ' LEU . 2.0 m-20 -54.7 164.76 0.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.857 0.36 . . . . 0.0 110.932 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -104.66 128.41 52.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.9 t0 -72.8 102.77 3.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.838 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -95.74 148.95 22.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 68' ' ' VAL . 6.4 t80 -115.01 105.64 13.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.927 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 52' ' ' ALA . 3.2 m-85 -60.2 105.38 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.756 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 15.6 m -80.6 -22.27 11.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -79.34 -34.51 42.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.591 ' CE1' HD21 ' A' ' 12' ' ' LEU . 10.3 m-85 -106.64 -54.44 2.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 129.75 -37.2 2.21 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.521 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -58.72 177.17 0.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.817 0.341 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -116.93 138.3 51.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -119.97 -179.57 16.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.705 ' HB3' HD11 ' A' ' 58' ' ' LEU . 0.3 OUTLIER -160.33 129.39 4.94 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.843 0.354 . . . . 0.0 110.881 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 m -162.63 158.47 19.47 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.623 0.725 . . . . 0.0 110.905 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 138.67 38.51 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.716 2.278 . . . . 0.0 112.317 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.449 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -48.84 -42.44 36.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.449 ' O ' ' CB ' ' A' ' 28' ' ' PRO . 0.2 OUTLIER -54.38 -33.74 59.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.49 ' O ' HD23 ' A' ' 81' ' ' LEU . 58.8 t0 -91.59 24.2 3.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.854 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.835 HD22 ' HB2' ' A' ' 41' ' ' ALA . 6.1 mt -117.44 151.49 36.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.423 ' HG3' ' CD1' ' A' ' 23' ' ' TYR . 40.3 mmt-85 -130.28 138.6 50.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.821 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -66.19 109.58 2.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.067 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.702 HD23 ' CD2' ' A' ' 89' ' ' LEU . 14.6 tp -52.34 111.95 0.72 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.961 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -64.87 165.43 10.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.908 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 2.0 m -60.57 -34.49 74.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.55 -43.13 97.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.893 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.511 ' HB3' HD11 ' A' ' 84' ' ' LEU . 22.2 m-85 -72.01 -20.77 61.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.702 ' CD2' HD23 ' A' ' 84' ' ' LEU . 47.7 mt -86.51 -23.87 25.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 8.4 t -40.67 -33.57 0.29 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.519 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.5 tt -90.83 135.74 28.53 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.607 0.717 . . . . 0.0 110.943 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.407 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.8 Cg_endo -69.74 167.17 25.19 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.652 2.234 . . . . 0.0 112.382 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -71.16 113.89 8.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.519 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 52.9 mm-40 -64.55 -49.41 71.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.49 122.77 37.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 18.7 mm -99.05 144.43 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 98' ' ' CYS . 4.5 tt0 -38.49 153.82 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . 0.434 ' C ' ' O ' ' A' ' 97' ' ' GLU . 73.9 m -35.78 -46.62 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.6 m -39.35 128.79 1.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.864 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -48.13 137.29 10.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -141.48 122.39 14.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.109 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -48.05 130.93 15.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.526 HD13 ' H ' ' A' ' 103' ' ' ILE . 0.2 OUTLIER -91.04 156.35 3.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.139 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -107.03 148.2 29.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 73.3 m -120.22 -56.69 1.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.88 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 114.3 -157.88 14.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.65 147.44 63.6 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.72 2.28 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.7 p -51.35 155.04 1.53 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.877 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 4.3 t -52.06 -57.75 8.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.5 p -113.96 125.45 54.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.891 0.377 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 72.7 p -153.87 143.97 22.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.854 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.62 159.09 39.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.509 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.1 m -91.68 48.82 1.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 0.0 110.856 -179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.7 p -92.95 115.7 28.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.815 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 48.83 -98.58 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.1 ttp180 -116.9 144.93 43.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.8 0.333 . . . . 0.0 110.873 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.1 m -108.4 151.02 26.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 60.3 mt -60.13 -48.09 83.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -51.56 -40.86 60.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.954 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 HD21 ' CE1' ' A' ' 70' ' ' PHE . 52.4 tp -72.64 -68.71 0.46 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.926 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -42.56 -37.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.11 -44.93 82.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.6 tp -65.28 -40.84 94.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 87.2 t -57.88 -48.94 82.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -58.36 -46.27 86.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -54.89 -59.24 5.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.935 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 54.0 mtp -50.18 -68.23 0.19 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.431 ' O ' ' N ' ' A' ' 22' ' ' HIS . 61.3 m -41.97 -67.39 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.095 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.484 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 7.8 mm-40 -37.61 -31.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.451 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 22.4 t-160 -88.87 -73.48 0.5 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.468 ' HH ' ' HD2' ' A' ' 88' ' ' PHE . 95.1 m-85 -46.88 -50.73 18.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.93 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.453 ' C ' ' O ' ' A' ' 23' ' ' TYR . 16.2 pt-20 -34.24 -38.47 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.857 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 21' ' ' GLN . 7.0 p30 -110.05 57.76 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.842 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -136.93 176.81 8.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 32.0 m -102.39 152.34 38.31 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.586 0.708 . . . . 0.0 111.135 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 106.24 1.63 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.336 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -86.92 128.65 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.34 93.28 9.48 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.568 ' O ' HD11 ' A' ' 78' ' ' LEU . 1.4 pt? -119.27 147.12 44.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 15.9 m -85.25 109.55 18.42 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.489 ' CG2' HG21 ' A' ' 54' ' ' VAL . 14.8 p -117.14 138.06 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.2 m170 -120.39 151.24 39.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.835 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.654 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.3 p -41.8 113.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.19 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 125.26 -10.56 7.74 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.484 ' CB ' HG23 ' A' ' 33' ' ' VAL . 2.7 m-20 -91.09 157.15 17.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.786 0.327 . . . . 0.0 110.855 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 45.2 mm -107.18 132.65 54.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -153.26 159.6 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -92.39 139.98 30.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.089 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.751 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -147.46 141.1 15.42 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.569 0.7 . . . . 0.0 111.091 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.562 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 53.7 Cg_endo -69.78 163.45 38.24 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.67 2.246 . . . . 0.0 112.31 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.709 HD23 ' HB2' ' A' ' 46' ' ' ASN . 12.7 tp -118.36 122.16 30.44 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.653 0.739 . . . . 0.0 110.929 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -16.97 37.96 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.702 2.268 . . . . 0.0 112.363 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.1 p -93.55 -43.94 8.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.113 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.709 ' HB2' HD23 ' A' ' 43' ' ' LEU . 13.1 t30 -95.08 -41.33 9.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 91.38 41.66 5.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' A' ' 42' ' ' PRO . 8.2 m -151.37 164.73 36.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.777 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.562 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 m95 -88.36 142.82 27.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.438 ' OH ' ' ND2' ' A' ' 46' ' ' ASN . 66.0 m-85 -143.28 155.2 44.42 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.909 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.559 ' HD2' HD21 ' A' ' 84' ' ' LEU . 39.8 mtm180 -76.91 110.96 11.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.891 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.496 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -124.08 154.38 40.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 66' ' ' TYR . 8.2 ttp180 -107.33 126.37 52.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG21 ' CG2' ' A' ' 33' ' ' VAL . 44.2 t -64.91 132.34 30.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.654 ' HA ' HG23 ' A' ' 35' ' ' VAL . 23.1 mt -110.24 -18.11 13.37 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.944 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.36 -123.04 1.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.697 -0.764 . . . . 0.0 112.5 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . 0.409 HG22 ' N ' ' A' ' 58' ' ' LEU . 27.5 m -145.16 154.53 42.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.835 0.35 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.87 HD12 ' HB2' ' A' ' 62' ' ' ASN . 39.5 mt -100.18 164.65 11.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -65.7 -31.35 72.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -76.55 -36.32 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 142.82 -36.38 1.62 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.487 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.87 ' HB2' HD12 ' A' ' 58' ' ' LEU . 13.1 m-20 -55.08 173.19 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.856 0.36 . . . . 0.0 110.863 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.9 mt -114.56 131.84 56.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -74.73 103.17 4.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.85 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.496 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 5.7 mt -96.66 154.59 17.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.958 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.474 ' CE2' HG12 ' A' ' 68' ' ' VAL . 2.5 t80 -120.16 105.86 11.38 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.928 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.481 ' O ' ' N ' ' A' ' 71' ' ' GLY . 4.0 m-30 -57.93 94.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.888 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.474 HG12 ' CE2' ' A' ' 66' ' ' TYR . 33.4 m -68.25 -19.45 24.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.171 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 63.4 m-20 -82.85 -40.31 20.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.893 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.432 ' CE1' HD21 ' A' ' 12' ' ' LEU . 13.0 m-85 -100.81 -54.18 2.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 67' ' ' PHE . . . 130.34 -33.83 2.82 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.478 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -63.88 177.75 0.72 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.865 0.364 . . . . 0.0 110.821 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 20.7 m120 -117.49 133.38 56.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -122.31 152.59 16.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.6 OUTLIER -120.29 140.33 51.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.813 0.339 . . . . 0.0 110.852 -179.971 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -168.34 148.26 4.19 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.556 0.693 . . . . 0.0 110.941 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 139.61 40.55 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.711 2.274 . . . . 0.0 112.353 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.568 HD11 ' O ' ' A' ' 31' ' ' LEU . 4.1 tt -48.77 -40.41 28.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.906 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -57.14 -37.33 71.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.887 179.815 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.413 ' N ' ' HD2' ' A' ' 79' ' ' LYS . 38.2 t0 -88.61 16.5 6.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.839 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.751 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -110.4 159.08 17.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.965 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 mmt-85 -140.4 133.26 29.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -59.88 105.65 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.67 HD23 ' CD2' ' A' ' 89' ' ' LEU . 18.3 tp -45.72 125.09 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.501 ' HB2' ' CD2' ' A' ' 88' ' ' PHE . 3.0 mmp_? -67.24 161.4 24.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 18.1 p -66.76 -32.63 74.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -23.22 63.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' CD2' ' HB2' ' A' ' 85' ' ' ARG . 22.2 m-85 -88.71 -3.16 58.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 ' CD2' HD23 ' A' ' 84' ' ' LEU . 37.2 mt -103.45 -22.52 13.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.899 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 10.0 t -43.12 -23.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.422 ' CD2' ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -91.88 135.4 27.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.606 0.717 . . . . 0.0 110.947 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.16 66.54 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.327 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -60.52 106.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.422 ' NE2' ' CD2' ' A' ' 91' ' ' LEU . 51.5 mm-40 -55.17 -50.21 69.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.897 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -91.24 106.78 18.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.1 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 12.2 mm -98.31 146.73 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -63.75 178.99 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.872 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 28.2 p -91.32 142.74 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 m -166.6 178.95 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.627 ' H ' HD23 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -110.02 176.3 5.11 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.66 104.79 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 103' ' ' ILE . 10.8 mmm180 -127.45 144.04 51.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.652 ' O ' HD12 ' A' ' 103' ' ' ILE . 2.8 pp 29.44 40.3 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.126 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.488 ' N ' ' O ' ' A' ' 102' ' ' ARG . . . -88.37 174.9 7.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.092 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 55.5 m -48.11 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -168.39 -83.73 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.448 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -174.09 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.253 . . . . 0.0 112.349 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 42.4 m -50.87 109.28 0.3 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 55.4 p -156.45 169.35 24.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.541 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.1 p -80.93 118.32 22.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.89 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.8 m -106.99 -56.36 2.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.901 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.98 118.93 1.93 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.47 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 m -155.13 159.58 40.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.891 0.377 . . . . 0.0 110.833 -179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -95.31 -52.29 4.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.845 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.56 156.24 53.26 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.479 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -121.2 151.87 39.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.805 0.336 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 71.4 m -86.98 142.21 28.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.2 mt -55.64 -47.3 76.87 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -50.9 -38.64 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 15' ' ' LEU . 57.2 tp -77.02 -67.23 0.73 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.9 t0 -41.75 -36.02 0.92 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.07 -39.71 78.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.489 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 8.4 tp -68.76 -40.32 79.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.532 HG11 ' CE1' ' A' ' 50' ' ' TYR . 84.4 t -58.69 -42.26 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -64.8 -49.85 69.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -53.21 -51.0 63.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 88' ' ' PHE . 58.1 mtp -56.8 -62.38 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.474 ' O ' ' N ' ' A' ' 22' ' ' HIS . 62.4 m -50.2 -67.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.16 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.419 ' C ' ' O ' ' A' ' 20' ' ' THR . 5.6 mm-40 -35.98 -31.59 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.474 ' N ' ' O ' ' A' ' 20' ' ' THR . 23.6 t-160 -84.45 -63.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.542 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 77.6 m-85 -61.17 -54.64 41.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 4.2 pt-20 -33.77 -33.86 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 23' ' ' TYR . 45.5 m-80 -113.78 49.75 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.914 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 23' ' ' TYR . 8.3 p -138.98 179.52 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.834 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.2 m -102.85 152.47 38.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.643 0.735 . . . . 0.0 111.099 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 82' ' ' ARG . 53.9 Cg_endo -69.76 114.09 3.59 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -86.51 129.6 34.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -87.07 93.42 9.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.488 ' O ' HD21 ' A' ' 78' ' ' LEU . 1.3 pt? -120.83 151.24 39.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.911 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 51.1 m -90.33 107.82 19.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.462 ' CG2' HG21 ' A' ' 54' ' ' VAL . 10.3 p -117.32 144.1 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -132.2 151.32 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.631 HG23 ' HA ' ' A' ' 55' ' ' LEU . 1.5 p -39.04 114.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.13 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 129.29 -31.08 3.52 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -76.24 160.83 29.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.769 0.319 . . . . 0.0 110.885 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.8 mm -113.27 130.73 66.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.7 m -147.5 -178.14 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.182 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -110.31 146.35 35.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.816 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -152.75 137.99 11.29 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.591 0.71 . . . . 0.0 111.077 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.578 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.3 Cg_endo -69.65 171.15 14.87 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.716 2.277 . . . . 0.0 112.365 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 47' ' ' GLY . 7.1 tp -120.68 120.06 29.83 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 0.0 110.944 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -2.9 10.94 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.374 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.483 ' OG1' HD23 ' A' ' 43' ' ' LEU . 73.3 p -93.95 -40.83 9.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.168 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 1.4 p-10 -122.67 -33.89 3.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 94.34 57.56 1.27 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 69.5 m -146.06 146.45 30.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.85 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.595 ' CH2' ' HG2' ' A' ' 82' ' ' ARG . 68.3 m95 -82.33 131.9 35.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.941 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.564 ' HB2' ' CE2' ' A' ' 67' ' ' PHE . 89.8 m-85 -134.73 134.87 41.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.959 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.445 ' NH1' ' O ' ' A' ' 88' ' ' PHE . 41.8 mtm180 -59.05 107.21 0.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.87 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.405 ' HB1' ' HB3' ' A' ' 65' ' ' LEU . . . -117.86 161.88 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 66' ' ' TYR . 26.1 ttm-85 -111.47 125.26 53.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.462 HG21 ' CG2' ' A' ' 33' ' ' VAL . 46.7 t -64.85 131.79 30.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.145 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.631 ' HA ' HG23 ' A' ' 35' ' ' VAL . 16.6 mt -113.74 -17.61 12.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 154.2 -134.06 4.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 8.0 m -140.84 145.39 36.18 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.791 0.329 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.626 HD12 ' HB2' ' A' ' 62' ' ' ASN . 11.1 mt -91.64 171.24 9.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.891 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -68.49 -25.33 64.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.21 -41.62 48.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 143.24 -29.5 2.05 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.475 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.626 ' HB2' HD12 ' A' ' 58' ' ' LEU . 22.5 m-20 -65.05 166.87 8.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.894 0.378 . . . . 0.0 110.88 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.7 mt -105.15 127.35 52.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -70.4 103.37 2.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.857 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.405 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 4.5 mt -96.86 156.42 16.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.868 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ARG . 8.0 t80 -122.88 105.53 10.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.955 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 50' ' ' TYR . 3.1 m-85 -57.76 111.55 1.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.866 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.487 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.9 m -80.81 -24.9 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -78.93 -39.14 35.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.853 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -99.46 -48.98 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 120.16 -31.43 5.29 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -64.0 -175.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.834 0.35 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -120.69 135.3 55.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -120.71 159.16 15.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.495 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -128.86 136.31 50.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.765 0.317 . . . . 0.0 110.917 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.7 m -168.69 146.65 3.42 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.611 0.72 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 146.57 60.86 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.704 2.269 . . . . 0.0 112.376 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.488 HD21 ' O ' ' A' ' 31' ' ' LEU . 2.0 tt -47.14 -40.19 15.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' CG ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -58.4 -37.55 75.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.83 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.503 ' O ' HD23 ' A' ' 81' ' ' LEU . 43.2 m-20 -86.22 20.69 2.26 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.816 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.2 mt -116.2 150.67 37.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.893 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.595 ' HG2' ' CH2' ' A' ' 49' ' ' TRP . 66.4 mmt-85 -133.14 127.62 34.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' A' ' 31' ' ' LEU . . . -57.62 101.34 0.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.572 HD23 ' CD2' ' A' ' 89' ' ' LEU . 15.3 tp -47.66 132.09 14.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 20.6 mtt-85 -84.42 168.09 15.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.865 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 16.3 p -66.13 -35.05 79.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -58.4 -27.6 64.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.85 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CZ ' ' HA ' ' A' ' 19' ' ' MET . 22.3 m-85 -91.36 -22.62 20.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.572 ' CD2' HD23 ' A' ' 84' ' ' LEU . 59.1 mt -82.49 -23.22 34.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.905 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.9 t -42.81 -33.67 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD21 ' NE2' ' A' ' 94' ' ' GLN . 1.6 tt -89.2 135.33 31.56 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.653 0.739 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.433 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.7 Cg_endo -69.78 163.57 37.79 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.655 2.236 . . . . 0.0 112.326 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -69.27 107.54 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.859 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.472 ' NE2' HD21 ' A' ' 91' ' ' LEU . 33.7 mm-40 -54.57 -53.1 59.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -94.06 116.92 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . . . . . . . . . 26.5 mm -103.64 137.4 32.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -69.68 150.62 46.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 56.3 m -79.71 159.12 26.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 16.7 m -79.33 168.16 19.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 tp -106.5 155.82 19.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.921 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.555 ' HB1' ' HB2' ' A' ' 104' ' ' ALA . . . -77.46 126.01 30.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.131 179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 37.5 mtp180 -98.32 105.8 18.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . 0.497 ' O ' HG22 ' A' ' 103' ' ' ILE . 19.1 mt 58.08 53.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.555 ' HB2' ' HB1' ' A' ' 101' ' ' ALA . . . -85.5 112.76 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 3.3 m -138.0 137.33 37.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.87 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -99.51 143.88 16.74 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.477 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 108' ' ' SER . 54.3 Cg_endo -69.78 1.95 3.99 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.374 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 107' ' ' PRO . 2.0 t -35.44 -45.13 0.32 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 58.3 m -66.58 114.83 5.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.525 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.366 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -94.27 -45.85 7.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 0.0 110.827 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -73.32 110.85 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.53 72.32 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 6' ' ' SER . 52.0 p -110.65 42.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 0.0 110.874 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 5' ' ' SER . 85.6 p -38.4 -44.27 0.9 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.858 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.31 -161.65 6.75 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.472 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 29.3 mtm-85 -57.99 145.1 37.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.873 0.368 . . . . 0.0 110.825 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.2 m -91.56 151.71 20.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.3 mt -56.92 -50.75 71.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.718 ' HB3' HD11 ' A' ' 91' ' ' LEU . 27.2 mt-30 -51.91 -33.97 39.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.455 HD21 ' CE1' ' A' ' 70' ' ' PHE . 54.8 tp -78.64 -67.47 0.74 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -42.68 -38.12 1.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.87 -37.49 76.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.917 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.484 ' N ' ' HD2' ' A' ' 14' ' ' LYS . 13.8 tp -71.86 -36.94 70.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.88 HG11 ' CE1' ' A' ' 50' ' ' TYR . 79.7 t -64.02 -36.26 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.103 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -69.1 -56.34 8.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -45.19 -56.68 4.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . 0.423 ' HG2' ' CG ' ' A' ' 88' ' ' PHE . 38.9 mtp -51.23 -65.93 0.47 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 22' ' ' HIS . 87.5 m -46.71 -68.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.453 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.6 mm100 -35.65 -30.48 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.503 ' N ' ' O ' ' A' ' 20' ' ' THR . 22.5 t-160 -86.18 -71.3 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.564 ' CE1' ' HB3' ' A' ' 82' ' ' ARG . 91.2 m-85 -49.9 -50.57 45.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.917 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.478 ' HG3' ' N ' ' A' ' 25' ' ' ASN . 2.5 pt-20 -36.34 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.913 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 23' ' ' TYR . 26.6 p30 -118.76 47.91 1.56 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 23' ' ' TYR . 38.9 p -138.62 156.11 47.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 35.7 m -74.59 152.03 87.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.621 0.724 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 112.97 3.21 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.738 2.292 . . . . 0.0 112.381 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -86.62 128.31 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -94.92 93.29 7.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' H ' HD23 ' A' ' 31' ' ' LEU . 1.8 pt? -116.73 151.86 35.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.905 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 75.6 m -84.09 107.82 16.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.175 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.544 ' CG2' HG21 ' A' ' 54' ' ' VAL . 9.1 p -118.87 138.41 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.133 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 35' ' ' VAL . 50.4 m170 -129.94 149.73 51.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.849 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.699 HG23 ' HA ' ' A' ' 55' ' ' LEU . 2.2 p -35.28 111.33 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 128.38 -21.93 5.36 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' CB ' HG23 ' A' ' 33' ' ' VAL . 4.1 m-20 -80.86 156.78 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.79 0.329 . . . . 0.0 110.903 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 53' ' ' ARG . 33.1 mm -112.12 126.88 69.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.1 m -145.51 -175.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.186 179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -116.88 137.54 52.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.074 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.795 ' HB2' HD22 ' A' ' 81' ' ' LEU . . . -141.8 142.39 25.24 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.553 0.692 . . . . 0.0 111.124 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.567 ' HD3' ' CZ3' ' A' ' 49' ' ' TRP . 54.1 Cg_endo -69.77 162.53 41.71 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.731 2.287 . . . . 0.0 112.328 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.772 HD23 ' HB2' ' A' ' 46' ' ' ASN . 10.1 tp -115.23 121.48 34.87 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.593 0.711 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -15.96 37.28 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.674 2.249 . . . . 0.0 112.339 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -94.86 -47.78 6.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.132 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.772 ' HB2' HD23 ' A' ' 43' ' ' LEU . 7.3 t30 -91.01 -40.82 11.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 43' ' ' LEU . . . 90.87 38.42 6.09 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.543 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 17.5 m -149.52 153.42 37.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.812 0.339 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' TRP . . . . . 0.567 ' CZ3' ' HD3' ' A' ' 42' ' ' PRO . 56.4 m95 -76.77 138.74 40.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.98 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.88 ' CE1' HG11 ' A' ' 16' ' ' VAL . 88.1 m-85 -139.44 142.87 37.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.911 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.434 ' HD2' HD21 ' A' ' 84' ' ' LEU . 36.9 mtm180 -64.7 115.51 5.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.897 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' HB3' ' A' ' 65' ' ' LEU . . . -128.03 159.78 33.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.461 ' HG3' ' CD1' ' A' ' 38' ' ' ILE . 26.1 ttm-85 -110.48 124.14 51.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.898 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.544 HG21 ' CG2' ' A' ' 33' ' ' VAL . 43.9 t -63.6 130.38 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.132 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.699 ' HA ' HG23 ' A' ' 35' ' ' VAL . 19.1 mt -111.25 -13.4 13.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.24 -136.65 5.89 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.507 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 26.8 m -134.42 147.94 50.54 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 111.122 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.924 HD12 ' HB2' ' A' ' 62' ' ' ASN . 57.7 mt -90.73 -176.83 4.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -74.61 -34.15 62.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.0 p30 -76.1 -39.82 54.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 144.85 -27.72 1.9 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.459 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.924 ' HB2' HD12 ' A' ' 58' ' ' LEU . 1.3 m-20 -57.45 165.13 1.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.837 0.351 . . . . 0.0 110.923 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.0 mt -107.98 125.91 52.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -69.55 102.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 52' ' ' ALA . 2.7 mt -96.15 148.09 23.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.933 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -117.34 106.65 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.935 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.526 ' CZ ' HD13 ' A' ' 43' ' ' LEU . 3.3 m-85 -57.47 105.65 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.904 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.47 ' O ' ' HB3' ' A' ' 95' ' ' ALA . 27.2 m -78.78 -21.42 12.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.6 m-20 -81.42 -34.48 31.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.455 ' CE1' HD21 ' A' ' 12' ' ' LEU . 3.2 m-85 -105.2 -52.04 2.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 124.83 -25.57 5.82 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.83 -174.92 0.64 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.835 0.35 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -123.57 136.02 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.859 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -124.39 158.0 18.83 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.402 ' HB2' HD11 ' A' ' 58' ' ' LEU . 0.9 OUTLIER -127.34 133.77 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.337 . . . . 0.0 110.863 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.8 m -164.4 145.63 6.73 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.901 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HG2' ' CB ' ' A' ' 80' ' ' ASP . 54.0 Cg_endo -69.74 151.15 69.13 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.68 2.253 . . . . 0.0 112.373 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 2.0 tt -52.88 -49.62 65.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.948 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.477 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -53.23 -26.71 18.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.854 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.514 ' O ' HD23 ' A' ' 81' ' ' LEU . 40.7 t0 -98.14 22.05 10.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD22 ' HB2' ' A' ' 41' ' ' ALA . 4.5 mt -117.3 165.54 13.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.564 ' HB3' ' CE1' ' A' ' 23' ' ' TYR . 60.9 mmt-85 -144.76 139.61 27.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -69.91 104.45 2.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.066 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.712 HD23 ' CD2' ' A' ' 89' ' ' LEU . 17.1 tp -49.87 123.35 7.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 39.5 mtp85 -71.31 158.9 35.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.895 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 1.9 m -58.74 -35.5 72.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -60.0 -41.8 92.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' CG ' ' HG2' ' A' ' 19' ' ' MET . 23.0 m-85 -75.27 -11.3 60.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.904 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.712 ' CD2' HD23 ' A' ' 84' ' ' LEU . 31.7 mt -94.44 -18.27 21.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 17.9 t -49.64 -25.32 2.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.873 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' A' ' 11' ' ' GLN . 2.3 tt -92.6 135.3 26.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.606 0.717 . . . . 0.0 110.923 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.467 ' O ' HD23 ' A' ' 91' ' ' LEU . 53.4 Cg_endo -69.81 157.19 61.11 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.664 2.243 . . . . 0.0 112.319 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.484 ' HB2' ' CD1' ' A' ' 96' ' ' ILE . 17.6 m-85 -65.67 107.49 1.77 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.443 ' NE2' HD21 ' A' ' 91' ' ' LEU . 36.7 mm-40 -55.51 -44.5 76.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 68' ' ' VAL . . . -98.8 103.9 15.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.098 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 93' ' ' PHE . 44.7 mm -98.0 139.22 20.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -89.33 167.98 12.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' CYS . . . . . . . . . . . . . 26.0 p -77.13 112.23 13.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.4 p -170.18 174.86 5.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.55 86.67 0.2 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.81 113.59 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.089 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -112.6 147.82 35.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.858 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ILE . . . . . . . . . . . . . 2.6 pt -113.61 129.97 68.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -92.7 139.85 30.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 94.5 p -98.98 113.37 25.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.31 -176.13 18.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -175.59 1.21 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.656 2.238 . . . . 0.0 112.348 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 59.5 p -142.03 168.22 20.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.866 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' SER . . . . . . . . . . . . . 46.8 t -118.52 128.58 54.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.49 179.992 . . . . . . . . 0 0 . 1 stop_ save_